CHLORAL BETAINE

US Previously Marketed

First approved in 1963

Details

Stereochemistry	ACHIRAL
Molecular Formula	C5H11NO2.C2H3Cl3O2
Molecular Weight	282.549
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(O)C(Cl)(Cl)Cl.C[N+](C)(C)CC([O-])=O

InChI

InChIKey=ONAOIDNSINNZOA-UHFFFAOYSA-N

InChI=1S/C5H11NO2.C2H3Cl3O2/c1-6(2,3)4-5(7)8;3-2(4,5)1(6)7/h4H2,1-3H3;1,6-7H

HIDE SMILES / InChI

Molecular Formula	C5H12NO2
Molecular Weight	118.1543
Charge	1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C2H2Cl3O2
Molecular Weight	164.395
Charge	-1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/14212304 | https://www.ncbi.nlm.nih.gov/pubmed/14001251

CHLORAL BETAINE, a chemical complex of chloral hydrate and betaine, is a nonbarbiturate sedative and hypnotic. It is indicated for sleep induction, preoperative sedation, and daytime sedation. CHLORAL BETAINE is converted to chloral hydrate in the body and its action on the central nervous system is identical with that of chloral hydrate.

CNS Activity

Originator

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Insomnia 108 Sources: https://books.google.ru/books?id=OKjfBwAAQBAJ&pg=PA208&redir_esc=y#v=onepage&q&f=false retrieved from The Practitioner's Guide to Psychoactive Drugs редактор(ы): Ellen L. Bassuk, Stephen C. Schoonover, Alan J. Gelenberg, p.208	Primary		Approved 8429	Beta-Chlor Approved Use Cloral Betaine Tablets are used for the short-term treatment of severe insomnia which is interfering with normal daily life and where other therapies have failed. Cloral Betaine Tablets should be used as an adjunct to non-pharmacological therapies. Launch Date 1962

C_max

Value	Dose	Co-administered	Analyte	Population
106 μM EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/18243465/	1500 mg single, oral dose: 1500 mg route of administration: Oral experiment type: SINGLE co-administered:		2,2,2-TRICHLOROETHANOL plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: FED

AUC

Value	Dose	Co-administered	Analyte	Population
1056 μM × h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/18243465/	1500 mg single, oral dose: 1500 mg route of administration: Oral experiment type: SINGLE co-administered:		2,2,2-TRICHLOROETHANOL plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: FED

T_1/2

Value	Dose	Co-administered	Analyte	Population
12.8 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/18243465/	1500 mg single, oral dose: 1500 mg route of administration: Oral experiment type: SINGLE co-administered:		2,2,2-TRICHLOROETHANOL plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: FED

Doses

Dose	Population	Adverse events
88 mg/kg single, intravenous Overdose Dose: 88 mg/kg Route: intravenous Route: single Dose: 88 mg/kg Sources: https://pubmed.ncbi.nlm.nih.gov/8632499 Page: p.102	healthy, 1.25 n = 1 Health Status: healthy Age Group: 1.25 Sex: M Population Size: 1 Sources: https://pubmed.ncbi.nlm.nih.gov/8632499 Page: p.102	Disc. AE: Cyanosis, Lethargy... AEs leading to discontinuation/dose reduction: Cyanosis Lethargy Sources: https://pubmed.ncbi.nlm.nih.gov/8632499 Page: p.102
20 g single, oral Overdose Dose: 20 g Route: oral Route: single Dose: 20 g Sources: https://pubmed.ncbi.nlm.nih.gov/31110633 Page: p.246	healthy, 27 n = 1 Health Status: healthy Age Group: 27 Sex: M Population Size: 1 Sources: https://pubmed.ncbi.nlm.nih.gov/31110633 Page: p.246	Disc. AE: Hypotension, Ventricular tachycardia... AEs leading to discontinuation/dose reduction: Hypotension Ventricular tachycardia Sources: https://pubmed.ncbi.nlm.nih.gov/31110633 Page: p.246
39 mg/kg single, intravenous Overdose Dose: 39 mg/kg Route: intravenous Route: single Dose: 39 mg/kg Sources: https://pubmed.ncbi.nlm.nih.gov/8632499 Page: p.102	healthy, 3 n = 1 Health Status: healthy Age Group: 3 Sex: F Population Size: 1 Sources: https://pubmed.ncbi.nlm.nih.gov/8632499 Page: p.102	Disc. AE: Lethargy... AEs leading to discontinuation/dose reduction: Lethargy Sources: https://pubmed.ncbi.nlm.nih.gov/8632499 Page: p.102
38 g single, oral Overdose Dose: 38 g Route: oral Route: single Dose: 38 g Sources: https://pubmed.ncbi.nlm.nih.gov/624775 Page: p.136	unhealthy, 38 n = 1 Health Status: unhealthy Condition: Depression Age Group: 38 Sex: F Population Size: 1 Sources: https://pubmed.ncbi.nlm.nih.gov/624775 Page: p.136	Disc. AE: Cyanosis, Coma... AEs leading to discontinuation/dose reduction: Cyanosis Coma Hypotension Ventricular tachycardia Sources: https://pubmed.ncbi.nlm.nih.gov/624775 Page: p.136
30 g single, oral Overdose Dose: 30 g Route: oral Route: single Dose: 30 g Sources: https://pubmed.ncbi.nlm.nih.gov/31110633 Page: p.246	healthy, 39 n = 1 Health Status: healthy Age Group: 39 Sex: F Population Size: 1 Sources: https://pubmed.ncbi.nlm.nih.gov/31110633 Page: p.246	Disc. AE: Supraventricular tachycardia, Premature ventricular contractions... AEs leading to discontinuation/dose reduction: Supraventricular tachycardia Premature ventricular contractions Sources: https://pubmed.ncbi.nlm.nih.gov/31110633 Page: p.246
20 g single, oral Overdose Dose: 20 g Route: oral Route: single Dose: 20 g Sources: https://pubmed.ncbi.nlm.nih.gov/31110633 Page: p.246	healthy, 42 n = 1 Health Status: healthy Age Group: 42 Sex: F Population Size: 1 Sources: https://pubmed.ncbi.nlm.nih.gov/31110633 Page: p.246	Disc. AE: Chest pain, Tachycardia... AEs leading to discontinuation/dose reduction: Chest pain Tachycardia Sources: https://pubmed.ncbi.nlm.nih.gov/31110633 Page: p.246
30 g single, oral Overdose Dose: 30 g Route: oral Route: single Dose: 30 g Sources: https://pubmed.ncbi.nlm.nih.gov/31110633 Page: p.232	healthy, 67 n = 1 Health Status: healthy Age Group: 67 Sex: F Population Size: 1 Sources: https://pubmed.ncbi.nlm.nih.gov/31110633 Page: p.232	Disc. AE: Ventricular tachycardia... AEs leading to discontinuation/dose reduction: Ventricular tachycardia Sources: https://pubmed.ncbi.nlm.nih.gov/31110633 Page: p.232

AEs

AE	Significance	Dose	Population
Cyanosis	Disc. AE	88 mg/kg single, intravenous Overdose Dose: 88 mg/kg Route: intravenous Route: single Dose: 88 mg/kg Sources: https://pubmed.ncbi.nlm.nih.gov/8632499 Page: p.102	healthy, 1.25 n = 1 Health Status: healthy Age Group: 1.25 Sex: M Population Size: 1 Sources: https://pubmed.ncbi.nlm.nih.gov/8632499 Page: p.102
Lethargy	Disc. AE	88 mg/kg single, intravenous Overdose Dose: 88 mg/kg Route: intravenous Route: single Dose: 88 mg/kg Sources: https://pubmed.ncbi.nlm.nih.gov/8632499 Page: p.102	healthy, 1.25 n = 1 Health Status: healthy Age Group: 1.25 Sex: M Population Size: 1 Sources: https://pubmed.ncbi.nlm.nih.gov/8632499 Page: p.102
Hypotension	Disc. AE	20 g single, oral Overdose Dose: 20 g Route: oral Route: single Dose: 20 g Sources: https://pubmed.ncbi.nlm.nih.gov/31110633 Page: p.246	healthy, 27 n = 1 Health Status: healthy Age Group: 27 Sex: M Population Size: 1 Sources: https://pubmed.ncbi.nlm.nih.gov/31110633 Page: p.246
Ventricular tachycardia	Disc. AE	20 g single, oral Overdose Dose: 20 g Route: oral Route: single Dose: 20 g Sources: https://pubmed.ncbi.nlm.nih.gov/31110633 Page: p.246	healthy, 27 n = 1 Health Status: healthy Age Group: 27 Sex: M Population Size: 1 Sources: https://pubmed.ncbi.nlm.nih.gov/31110633 Page: p.246
Lethargy	Disc. AE	39 mg/kg single, intravenous Overdose Dose: 39 mg/kg Route: intravenous Route: single Dose: 39 mg/kg Sources: https://pubmed.ncbi.nlm.nih.gov/8632499 Page: p.102	healthy, 3 n = 1 Health Status: healthy Age Group: 3 Sex: F Population Size: 1 Sources: https://pubmed.ncbi.nlm.nih.gov/8632499 Page: p.102
Coma	Disc. AE	38 g single, oral Overdose Dose: 38 g Route: oral Route: single Dose: 38 g Sources: https://pubmed.ncbi.nlm.nih.gov/624775 Page: p.136	unhealthy, 38 n = 1 Health Status: unhealthy Condition: Depression Age Group: 38 Sex: F Population Size: 1 Sources: https://pubmed.ncbi.nlm.nih.gov/624775 Page: p.136
Cyanosis	Disc. AE	38 g single, oral Overdose Dose: 38 g Route: oral Route: single Dose: 38 g Sources: https://pubmed.ncbi.nlm.nih.gov/624775 Page: p.136	unhealthy, 38 n = 1 Health Status: unhealthy Condition: Depression Age Group: 38 Sex: F Population Size: 1 Sources: https://pubmed.ncbi.nlm.nih.gov/624775 Page: p.136
Hypotension	Disc. AE	38 g single, oral Overdose Dose: 38 g Route: oral Route: single Dose: 38 g Sources: https://pubmed.ncbi.nlm.nih.gov/624775 Page: p.136	unhealthy, 38 n = 1 Health Status: unhealthy Condition: Depression Age Group: 38 Sex: F Population Size: 1 Sources: https://pubmed.ncbi.nlm.nih.gov/624775 Page: p.136
Ventricular tachycardia	Disc. AE	38 g single, oral Overdose Dose: 38 g Route: oral Route: single Dose: 38 g Sources: https://pubmed.ncbi.nlm.nih.gov/624775 Page: p.136	unhealthy, 38 n = 1 Health Status: unhealthy Condition: Depression Age Group: 38 Sex: F Population Size: 1 Sources: https://pubmed.ncbi.nlm.nih.gov/624775 Page: p.136
Premature ventricular contractions	Disc. AE	30 g single, oral Overdose Dose: 30 g Route: oral Route: single Dose: 30 g Sources: https://pubmed.ncbi.nlm.nih.gov/31110633 Page: p.246	healthy, 39 n = 1 Health Status: healthy Age Group: 39 Sex: F Population Size: 1 Sources: https://pubmed.ncbi.nlm.nih.gov/31110633 Page: p.246
Supraventricular tachycardia	Disc. AE	30 g single, oral Overdose Dose: 30 g Route: oral Route: single Dose: 30 g Sources: https://pubmed.ncbi.nlm.nih.gov/31110633 Page: p.246	healthy, 39 n = 1 Health Status: healthy Age Group: 39 Sex: F Population Size: 1 Sources: https://pubmed.ncbi.nlm.nih.gov/31110633 Page: p.246
Chest pain	Disc. AE	20 g single, oral Overdose Dose: 20 g Route: oral Route: single Dose: 20 g Sources: https://pubmed.ncbi.nlm.nih.gov/31110633 Page: p.246	healthy, 42 n = 1 Health Status: healthy Age Group: 42 Sex: F Population Size: 1 Sources: https://pubmed.ncbi.nlm.nih.gov/31110633 Page: p.246
Tachycardia	Disc. AE	20 g single, oral Overdose Dose: 20 g Route: oral Route: single Dose: 20 g Sources: https://pubmed.ncbi.nlm.nih.gov/31110633 Page: p.246	healthy, 42 n = 1 Health Status: healthy Age Group: 42 Sex: F Population Size: 1 Sources: https://pubmed.ncbi.nlm.nih.gov/31110633 Page: p.246
Ventricular tachycardia	Disc. AE	30 g single, oral Overdose Dose: 30 g Route: oral Route: single Dose: 30 g Sources: https://pubmed.ncbi.nlm.nih.gov/31110633 Page: p.232	healthy, 67 n = 1 Health Status: healthy Age Group: 67 Sex: F Population Size: 1 Sources: https://pubmed.ncbi.nlm.nih.gov/31110633 Page: p.232

Overview

CYP3A4	CYP2C9	CYP2D6	hERG

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer
	CYP2E1 667 CYP2B1 12

Drug as victim

Target	Modality	Activity	Metabolite	Clinical evidence
CYP2E1 667	substrate 3367 Sources: https://dmd.aspetjournals.org/content/33/10/1429 Page: 1.0	major
CYP2B1 12	substrate 3367 Sources: https://dmd.aspetjournals.org/content/33/10/1429 Page: 1.0	minor

Sourcing

Vendor/Aggregator	ID	URL
3B Scientific (Wuhan) Corp	3B3-020224	http://www.3bsc.com/index/pro_info.php?id=29193
AHH Chemical co.,ltd	MT-30706	http://www.ahhchemical.com/product/MT-30706.html
Acadechem	ACDS-033096	http://www.acadechemical.com/product/107795
Achemica	ACMC-209hdv	http://www.achemica.com/prodinfo/?id=126122
Achemo Scientific Limited	AC-31396	http://www.achemo.com/product_view.asp?ID=35451
Allbio Pharm Co., Ltd	AD06794	http://www.allbiopharm.com/product/n/AD06794
Angene	AGN-PC-0JK6BP	http://www.angenechemical.com/productshow/AGN-PC-0JK6BP.html
Anward	ANW-26801	http://www.anward.com/pro_result/21995
Avantor Inc	75835-600	https://us.vwr.com/store/product/20514245/chloral-hydrate-restek
BOC Sciences	302-17-0	https://buildingblock.bocsci.com/product/chloral-hydrate-cas-302-17-0-312607.html
BioChemPartner	BCP31225	http://www.biochempartner.com/302-17-0-BCP31225
BioSynth	J-520014	https://www.biosynth.com/en/products/all-products/products/J-520014.html
BioSynth	Q-200826	https://www.biosynth.com/en/products/life-science/other-biochemicals/products/Q-200826.html
ChemFish Tokyo co.,ltd	2707	http://www.chemfish.co.jp/index.php?id=5101&project=product
ChemFish Tokyo co.,ltd	CF00075	http://www.chemfish.com/index.php?c=msg&id=4518&
ChemMol	49426856	http://www.chemmol.com/chemmol/49426856.html
Clearsynth	CS-T-44997	https://www.clearsynth.com/en/CST44997.html
Debye Scientific	DB-047727	http://www.debyesci.com/cas_302-17-0.html
FondChemical	FDB-3275	http://www.fondchemical.com/cpshow_cid_8_pid_2553.html
Glentham Life Sciences	GK3933	http://www.glentham.com/products/product/GK3933/
LGC Standards	DRE-C11098000	https://www.lgcstandards.com/US/en/p/DRE-C11098000
LGC Standards	DRE-GA09011102ME	https://www.lgcstandards.com/US/en/p/DRE-GA09011102ME
LGC Standards	DRE-YA11098000AL	https://www.lgcstandards.com/US/en/p/DRE-YA11098000AL
LGC Standards	LGCFOR1650.00	https://www.lgcstandards.com/US/en/p/LGCFOR1650.00
LGC Standards	MM1650.00	https://www.lgcstandards.com/US/en/p/MM1650.00
Lab Network	LN00221595	https://labnetwork.com/frontend-app/p/#!/moleculedetails/LN00221595
Otava	2824001	https://search.otavachemicals.com/#!/search?query=2824001&type=code&base=dbb
Renno Tech	RP22835	http://www.rennotech.com/product_show.asp?id=28523
Sigma-Aldrich	23100_ALDRICH	https://www.sigmaaldrich.com/catalog/product/aldrich/23100?utm_source=pubchem&utm_campaign=pubchem_2017&utm_medium=referral
Sigma-Aldrich	05-2650_SAJ	https://www.sigmaaldrich.com/catalog/product/saj/052650?utm_source=pubchem&utm_campaign=pubchem_2017&utm_medium=referral
Sigma-Aldrich	05-2660_SAJ	https://www.sigmaaldrich.com/catalog/product/saj/052660?utm_source=pubchem&utm_campaign=pubchem_2017&utm_medium=referral
Sigma-Aldrich	15307_SIAL	https://www.sigmaaldrich.com/catalog/product/sial/15307?utm_source=pubchem&utm_campaign=pubchem_2017&utm_medium=referral
Sigma-Aldrich	47335-U_SUPELCO	https://www.sigmaaldrich.com/catalog/product/supelco/47335u?utm_source=pubchem&utm_campaign=pubchem_2017&utm_medium=referral
Sinfoo Biotech	S017439	http://www.sinfoobiotech.com/product/1020837
Smolecule	S523457	http://www.smolecule.com/products/s523457
Smolecule	S772541	https://www.smolecule.com/products/s772541
THE BioTek	bt-264118	https://www.thebiotek.com/product/inhibitors/bt-264118
Vitas-M Laboratory	STL445706	http://www.request.vitasmlab.com/index.php?option=com_search_stk&Itemid=22&stk=STL445706&?utm_source=pubchem&utm_medium=p_search_link&utm_campaign=pubchem_search&utm_content=pubchem_slink
VladaChem	VL268078-100G	https://www.vladachem.com/product.php?products=302-17-0
Yuhao Chemical	LT4460	http://www.chemyuhao.com/302-17-0.html
abcr GmbH	AB139307	http://www.abcr.de/shop/en/AB139307
iChemical	EBD1024432	http://www.ichemical.com/products/302-17-0.html
mcule	MCULE-8278658791	https://mcule.com/MCULE-8278658791/

PubMed

Title	Date	PubMed
Oral and rectal absorption of chloral hydrate and its betaine complex.	1980 Feb	7359335

Sample Use Guides

In Vivo Use Guide

To induce sleep, the recommended dosage for adults and children over 12 years of age is 870 mg to 1.7 gm approximately 15 to 30 minutes before bedtime. For preoperative sedation, the same amounts are given 60 to 90 minutes before surgery. The suggested sedative dosage is 870 mg given three times daily, with an additional dose at bedtime if necessary.

Route of Administration: Oral

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:39:45 GMT 2023` Edited by `admin` on `Fri Dec 15 16:39:45 GMT 2023`
Record UNII	8680278NRH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CHLORAL BETAINE

Official Name

English

METHANAMINIUM, 1-CARBOXY-N,N,N-TRIMETHYL-, HYDROXIDE, INNER SALT, COMPD. WITH 2,2,2-TRICHLORO-1,1-ETHANEDIOL (1:1)

Common Name

English

CHLORAL BETAINE [MI]

Common Name

English

5107

Code

English

Chloral hydrate betaine (1:1) compound

Common Name

English

CLORAL BETAINE [MART.]

Common Name

English

CLORAL BETAINE

Official Name

English

cloral betaine [INN]

Common Name

English

CHLORAL BETAINE [USAN]

Common Name

English

Cloral betaine [WHO-DD]

Common Name

English

Classification Tree Code System Code

DEA NO.

2460