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Details

Stereochemistry RACEMIC
Molecular Formula 2C11H17N2O3.Ca
Molecular Weight 490.607
Optical Activity ( + / - )
Defined Stereocenters 0 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENTOBARBITAL CALCIUM

SMILES

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

InChI

InChIKey=VBJLHIJEIVBIHF-UHFFFAOYSA-L
InChI=1S/2C11H18N2O3.Ca/c2*1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15;/h2*7H,4-6H2,1-3H3,(H2,12,13,14,15,16);/q;;+2/p-2

HIDE SMILES / InChI

Approval Year

Unknown
86413
Name Type Language
PENTOBARBITAL CALCIUM
JAN   WHO-DD  
Common Name English
Pentobarbital calcium [WHO-DD]
Common Name English
PENTOBARBITAL CALCIUM [JAN]
Common Name English
(±)-PENTOBARBITAL CALCIUM
Common Name English
RAVONA
Brand Name English
NEMBUTAL CALCIUM
Common Name English
BARBITURIC ACID, 5-ETHYL-5-(1-METHYLBUTYL)-, CALCIUM SALT (2:1)
Common Name English
CALCIUM 5-ETHYL-5-(1-METHYLBUTYL)BARBITURATE
Systematic Name English
BARBITURIC ACID, 5-ETHYL-5-(1-METHYLBUTYL)-, CALCIUM SALT
Common Name English
2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-ETHYL-5-(1-METHYLBUTYL)-, CALCIUM SALT (2:1)
Common Name English
PENTOBARBITAL CALCIUM SALT [MI]
Common Name English
2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-ETHYL-5-(1-METHYLBUTYL)-, CALCIUM SALT
Common Name English
REPOCAL
Brand Name English
NEODORM
Brand Name English
PENTOBARBITAL CALCIUM SALT
MI  
Common Name English
MONOCALCIUM BIS(5-ETHYL-5-((1RS)-1-METHYLBUTYL)-4,6-DIOXO-1,4,5,6-TETRAHYDROPYRIMIDIN-2-OLATE)
Systematic Name English
Code System Code Type Description
CAS
7563-42-0
Created by admin on Sat Dec 16 04:59:39 UTC 2023 , Edited by admin on Sat Dec 16 04:59:39 UTC 2023
NON-SPECIFIC STOICHIOMETRY
EVMPD
SUB03690MIG
Created by admin on Sat Dec 16 04:59:39 UTC 2023 , Edited by admin on Sat Dec 16 04:59:39 UTC 2023
PRIMARY
ECHA (EC/EINECS)
231-460-2
Created by admin on Sat Dec 16 04:59:39 UTC 2023 , Edited by admin on Sat Dec 16 04:59:39 UTC 2023
PRIMARY
SMS_ID
100000085545
Created by admin on Sat Dec 16 04:59:39 UTC 2023 , Edited by admin on Sat Dec 16 04:59:39 UTC 2023
PRIMARY
FDA UNII
66V4W08X7J
Created by admin on Sat Dec 16 04:59:39 UTC 2023 , Edited by admin on Sat Dec 16 04:59:39 UTC 2023
PRIMARY
CAS
24876-35-5
Created by admin on Sat Dec 16 04:59:39 UTC 2023 , Edited by admin on Sat Dec 16 04:59:39 UTC 2023
PRIMARY
MERCK INDEX
m8513
Created by admin on Sat Dec 16 04:59:39 UTC 2023 , Edited by admin on Sat Dec 16 04:59:39 UTC 2023
PRIMARY Merck Index
ChEMBL
CHEMBL448
Created by admin on Sat Dec 16 04:59:39 UTC 2023 , Edited by admin on Sat Dec 16 04:59:39 UTC 2023
PRIMARY
PUBCHEM
656845
Created by admin on Sat Dec 16 04:59:39 UTC 2023 , Edited by admin on Sat Dec 16 04:59:39 UTC 2023
PRIMARY
ACTIVE MOIETY
Structure of PENTOBARBITAL
NIH
NCATS
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