BRALLOBARBITAL CALCIUM

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C10H10BrN2O3.Ca
Molecular Weight	612.282
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Ca++].BrC(=C)CC1(CC=C)C(=O)NC(=O)[N-]C1=O.BrC(=C)CC2(CC=C)C(=O)NC(=O)[N-]C2=O

InChI

InChIKey=UPVBPUPRXPBMBG-UHFFFAOYSA-L

InChI=1S/2C10H11BrN2O3.Ca/c2*1-3-4-10(5-6(2)11)7(14)12-9(16)13-8(10)15;/h2*3H,1-2,4-5H2,(H2,12,13,14,15,16);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula	C10H11BrN2O3
Molecular Weight	287.11
Charge	0
Count

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

Molecular Formula	Ca
Molecular Weight	40.078
Charge	2
Count

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

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/969563 | https://www.ncbi.nlm.nih.gov/pubmed/6138072

Brallobarbital possessed the sedative and hypnotic properties and was a component of Vesparax that was used to treat sleep disorders. However, was revealed that brallobarbital was responsible for the problems in Vesparax intoxication.

Approval Year

PubMed

Title	Date	PubMed
[Excretion ratios of brallobarbital in man].	1969 Apr	5819172
[Isolation and identification of brallobarbital metabolites].	1969 Mar	5818788
Rapid toxicological screening of barbiturates in plasma by wide-bore capillary gas chromatography and nitrogen-phosphorus detection.	1993 Mar-Apr	8492562

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:48:19 GMT 2023` Edited by `admin` on `Fri Dec 15 17:48:19 GMT 2023`
Record UNII	L214YQB674
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BRALLOBARBITAL CALCIUM

Common Name

English

2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-(2-BROMO-2-PROPENYL)-5-(2-PROPENYL)-, CALCIUM SALT (2:1)

Common Name

English

Brallobarbital calcium [WHO-DD]

Common Name

English

Code System Code Type Description

SMS_ID

100000085122