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

Details

Stereochemistry ACHIRAL
Molecular Formula 2C12H11N2O3.Ca
Molecular Weight 502.533
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENOBARBITAL CALCIUM

SMILES

[Ca++].CCC1(C(=O)NC(=O)[N-]C1=O)C2=CC=CC=C2.CCC3(C(=O)NC(=O)[N-]C3=O)C4=CC=CC=C4

InChI

InChIKey=ZETGTVOTPNZDKD-UHFFFAOYSA-L
InChI=1S/2C12H12N2O3.Ca/c2*1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;/h2*3-7H,2H2,1H3,(H2,13,14,15,16,17);/q;;+2/p-2

HIDE SMILES / InChI

Approval Year

Name Type Language
PHENOBARBITAL CALCIUM
WHO-DD  
Common Name English
CALCIUM PHENOBARBITAL
Common Name English
5-ETHYL-5-PHENYL-BARBITURIC ACID CALCIUM SALT
Common Name English
Phenobarbital calcium [WHO-DD]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C264
Created by admin on Fri Dec 15 16:40:55 UTC 2023 , Edited by admin on Fri Dec 15 16:40:55 UTC 2023
NCI_THESAURUS C67084
Created by admin on Fri Dec 15 16:40:55 UTC 2023 , Edited by admin on Fri Dec 15 16:40:55 UTC 2023
Code System Code Type Description
FDA UNII
1J4G3UJJ69
Created by admin on Fri Dec 15 16:40:55 UTC 2023 , Edited by admin on Fri Dec 15 16:40:55 UTC 2023
PRIMARY
CAS
7645-06-9
Created by admin on Fri Dec 15 16:40:55 UTC 2023 , Edited by admin on Fri Dec 15 16:40:55 UTC 2023
PRIMARY
NCI_THESAURUS
C95059
Created by admin on Fri Dec 15 16:40:55 UTC 2023 , Edited by admin on Fri Dec 15 16:40:55 UTC 2023
PRIMARY
PUBCHEM
24283
Created by admin on Fri Dec 15 16:40:55 UTC 2023 , Edited by admin on Fri Dec 15 16:40:55 UTC 2023
PRIMARY
EVMPD
SUB03752MIG
Created by admin on Fri Dec 15 16:40:55 UTC 2023 , Edited by admin on Fri Dec 15 16:40:55 UTC 2023
PRIMARY
ECHA (EC/EINECS)
231-583-1
Created by admin on Fri Dec 15 16:40:55 UTC 2023 , Edited by admin on Fri Dec 15 16:40:55 UTC 2023
PRIMARY
SMS_ID
100000085274
Created by admin on Fri Dec 15 16:40:55 UTC 2023 , Edited by admin on Fri Dec 15 16:40:55 UTC 2023
PRIMARY