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	Ca
Molecular Weight	40.078
Charge	2
Count

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

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

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
Rapid toxicological screening of barbiturates in plasma by wide-bore capillary gas chromatography and nitrogen-phosphorus detection.	1993-03-01	8492562
[Excretion ratios of brallobarbital in man].	1969-04	5819172
[Isolation and identification of brallobarbital metabolites].	1969-03	5818788

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:53:14 GMT 2025` Edited by `admin` on `Mon Mar 31 18:53:14 GMT 2025`
Record UNII	L214YQB674
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Preferred Name

English

BRALLOBARBITAL CALCIUM

Common Name

English

Brallobarbital calcium [WHO-DD]

Common Name

English

Code System Code Type Description

SMS_ID

100000085122