Chloral hydrate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C2H3Cl3O2
Molecular Weight	165.4029
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

OC(O)C(Cl)(Cl)Cl

InChI

InChIKey=RNFNDJAIBTYOQL-UHFFFAOYSA-N

InChI=1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H

HIDE SMILES / InChI

Molecular Formula	C2H3Cl3O2
Molecular Weight	165.4029
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

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

Description

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

Conditions

Condition	Modality	Targets	Highest Phase	Product
Insomnia 111	Primary		Approved 8,583	Beta-Chlor

C_max

Value	Dose	Co-administered	Analyte	Population
106 μM	1500 mg single, oral		2,2,2-TRICHLOROETHANOL plasma	Homo sapiens

AUC

Value	Dose	Co-administered	Analyte	Population
1056 μM × h	1500 mg single, oral		2,2,2-TRICHLOROETHANOL plasma	Homo sapiens

T_1/2

Value	Dose	Co-administered	Analyte	Population
12.8 h	1500 mg single, oral		2,2,2-TRICHLOROETHANOL plasma	Homo sapiens

Doses

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Dose	Population	Adverse events
88 mg/kg single, intravenous Overdose	healthy, 1.25	Disc. AE: Cyanosis, Lethargy...
20 g single, oral Overdose	healthy, 27	Disc. AE: Hypotension, Ventricular tachycardia...
39 mg/kg single, intravenous Overdose	healthy, 3	Disc. AE: Lethargy...
38 g single, oral Overdose	unhealthy, 38	Disc. AE: Cyanosis, Coma...
30 g single, oral Overdose	healthy, 39	Disc. AE: Supraventricular tachycardia, Premature ventricular contractions...

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AEs

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AE	Significance	Dose	Population
Cyanosis	Disc. AE	88 mg/kg single, intravenous Overdose	healthy, 1.25
Lethargy	Disc. AE	88 mg/kg single, intravenous Overdose	healthy, 1.25
Hypotension	Disc. AE	20 g single, oral Overdose	healthy, 27
Ventricular tachycardia	Disc. AE	20 g single, oral Overdose	healthy, 27
Lethargy	Disc. AE	39 mg/kg single, intravenous Overdose	healthy, 3

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Overview

CYP3A4	CYP2C9	CYP2D6	hERG

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer
	CYP2E1 729 CYP2B1 12

Drug as victim

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Target	Modality	Activity	Metabolite	Clinical evidence
CYP2E1 729	substrate 4,014	major
CYP2B1 12	substrate 4,014	minor

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Sourcing

Sourcing

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Vendor/Aggregator	ID	URL
3B Scientific (Wuhan) Corp	3B3-020224	http://www.3bsc.com/index/pro_info.php?id=29193
abcr GmbH	AB139307	http://www.abcr.de/shop/en/AB139307
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

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PubMed

PubMed

Title	Date	PubMed
No data available in table

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