U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C11H15N2O3.Na
Molecular Weight 246.2382
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUTALBITAL SODIUM

SMILES

[Na+].CC(C)CC1(CC=C)C(=O)NC(=O)[N-]C1=O

InChI

InChIKey=LIZXGILRVOONMO-UHFFFAOYSA-M
InChI=1S/C11H16N2O3.Na/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15;/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16);/q;+1/p-1

HIDE SMILES / InChI

Approval Year

Name Type Language
BUTALBITAL SODIUM
WHO-DD  
Common Name English
BARBITURIC ACID, 5-ALLYL-5-ISOBUTYL-, SODIUM SALT
Common Name English
Butalbital sodium [WHO-DD]
Common Name English
SODIUM BUTALBITAL
Common Name English
5-ALLYL-5-ISOBUTYLBARBITURIC ACID SODIUM SALT
Common Name English
SODIUM 5-(2-METHYLPROPYL)-4,6-DIOXO-5-PROP-2-ENYL-1H-PYRIMIDIN-2-OLATE
Systematic Name English
Classification Tree Code System Code
DEA NO. 2100
Created by admin on Fri Dec 15 15:52:24 UTC 2023 , Edited by admin on Fri Dec 15 15:52:24 UTC 2023
Code System Code Type Description
ECHA (EC/EINECS)
245-732-3
Created by admin on Fri Dec 15 15:52:24 UTC 2023 , Edited by admin on Fri Dec 15 15:52:24 UTC 2023
PRIMARY
CAS
23554-70-3
Created by admin on Fri Dec 15 15:52:24 UTC 2023 , Edited by admin on Fri Dec 15 15:52:24 UTC 2023
PRIMARY
EVMPD
SUB00910MIG
Created by admin on Fri Dec 15 15:52:24 UTC 2023 , Edited by admin on Fri Dec 15 15:52:24 UTC 2023
PRIMARY
SMS_ID
100000084857
Created by admin on Fri Dec 15 15:52:24 UTC 2023 , Edited by admin on Fri Dec 15 15:52:24 UTC 2023
PRIMARY
DRUG BANK
DBSALT002235
Created by admin on Fri Dec 15 15:52:24 UTC 2023 , Edited by admin on Fri Dec 15 15:52:24 UTC 2023
PRIMARY
EPA CompTox
DTXSID40946317
Created by admin on Fri Dec 15 15:52:24 UTC 2023 , Edited by admin on Fri Dec 15 15:52:24 UTC 2023
PRIMARY
FDA UNII
BBH31P2ABJ
Created by admin on Fri Dec 15 15:52:24 UTC 2023 , Edited by admin on Fri Dec 15 15:52:24 UTC 2023
PRIMARY
PUBCHEM
14148200
Created by admin on Fri Dec 15 15:52:24 UTC 2023 , Edited by admin on Fri Dec 15 15:52:24 UTC 2023
PRIMARY