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Details

Stereochemistry ACHIRAL
Molecular Formula C5H11NO2.C2H3Cl3O2
Molecular Weight 282.5495
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHLORAL BETAINE

SMILES

C[N+](C)(C)CC(=O)[O-].C(C(Cl)(Cl)Cl)(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 118.1545
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 ( + / - )

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.

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
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

-2.20924805E11
Cmax

Cmax

ValueDoseCo-administeredAnalytePopulation
106 μM
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

AUC

ValueDoseCo-administeredAnalytePopulation
1056 μM × h
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
T1/2

T1/2

ValueDoseCo-administeredAnalytePopulation
12.8 h
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

Doses

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

AEs

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

Overview

CYP3A4CYP2C9CYP2D6hERG

OverviewOther

Other InhibitorOther SubstrateOther Inducer


Drug as victim

Drug as victim

TargetModalityActivityMetaboliteClinical evidence
major
minor
Sourcing

Sourcing

Vendor/AggregatorIDURL
PubMed

PubMed

TitleDatePubMed
Clinical experience with chloral betaine, a preoperative sedative.
1963 Jul
A CHLORAL HYDRATE COMPLEX. CHLORAL BETAINE. (BETA-CHLOR).
1964 Dec 28

Sample Use Guides

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 Sat Jun 26 06:32:40 UTC 2021
Edited
by admin
on Sat Jun 26 06:32:40 UTC 2021
Record UNII
8680278NRH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHLORAL BETAINE
MI   USAN  
USAN  
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
CLORAL BETAINE [WHO-DD]
Common Name English
CHLORAL HYDRATE BETAINE (1:1) COMPOUND
Common Name English
CLORAL BETAINE [MART.]
Common Name English
CLORAL BETAINE
INN   MART.   WHO-DD  
INN  
Official Name English
CLORAL BETAINE [INN]
Common Name English
CHLORAL BETAINE [USAN]
Common Name English
Classification Tree Code System Code
DEA NO. 2460
Created by admin on Sat Jun 26 06:32:40 UTC 2021 , Edited by admin on Sat Jun 26 06:32:40 UTC 2021
Code System Code Type Description
EVMPD
SUB06750MIG
Created by admin on Sat Jun 26 06:32:40 UTC 2021 , Edited by admin on Sat Jun 26 06:32:40 UTC 2021
PRIMARY
RXCUI
89808
Created by admin on Sat Jun 26 06:32:40 UTC 2021 , Edited by admin on Sat Jun 26 06:32:40 UTC 2021
PRIMARY RxNorm
INN
1506
Created by admin on Sat Jun 26 06:32:40 UTC 2021 , Edited by admin on Sat Jun 26 06:32:40 UTC 2021
PRIMARY
ECHA (EC/EINECS)
218-722-1
Created by admin on Sat Jun 26 06:32:40 UTC 2021 , Edited by admin on Sat Jun 26 06:32:40 UTC 2021
PRIMARY
DRUG BANK
DB01494
Created by admin on Sat Jun 26 06:32:40 UTC 2021 , Edited by admin on Sat Jun 26 06:32:40 UTC 2021
PRIMARY
CAS
2218-68-0
Created by admin on Sat Jun 26 06:32:40 UTC 2021 , Edited by admin on Sat Jun 26 06:32:40 UTC 2021
PRIMARY
EPA CompTox
2218-68-0
Created by admin on Sat Jun 26 06:32:40 UTC 2021 , Edited by admin on Sat Jun 26 06:32:40 UTC 2021
PRIMARY
MERCK INDEX
M633
Created by admin on Sat Jun 26 06:32:40 UTC 2021 , Edited by admin on Sat Jun 26 06:32:40 UTC 2021
PRIMARY Merck Index
NCI_THESAURUS
C171896
Created by admin on Sat Jun 26 06:32:40 UTC 2021 , Edited by admin on Sat Jun 26 06:32:40 UTC 2021
PRIMARY
PUBCHEM
16676
Created by admin on Sat Jun 26 06:32:40 UTC 2021 , Edited by admin on Sat Jun 26 06:32:40 UTC 2021
PRIMARY
FDA UNII
8680278NRH
Created by admin on Sat Jun 26 06:32:40 UTC 2021 , Edited by admin on Sat Jun 26 06:32:40 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY