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Details

Stereochemistry RACEMIC
Molecular Formula C9H14N2O3
Molecular Weight 198.2191
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(1-METHYLBUTYL)BARBITURIC ACID

SMILES

CCCC(C)C1C(=O)NC(=O)NC1=O

InChI

InChIKey=QSELDKYOARDOCZ-UHFFFAOYSA-N
InChI=1S/C9H14N2O3/c1-3-4-5(2)6-7(12)10-9(14)11-8(6)13/h5-6H,3-4H2,1-2H3,(H2,10,11,12,13,14)

HIDE SMILES / InChI

Molecular Formula C9H14N2O3
Molecular Weight 198.2191
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:05:27 UTC 2023
Edited
by admin
on Sat Dec 16 13:05:27 UTC 2023
Record UNII
T2UTA4V8KJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-(1-METHYLBUTYL)BARBITURIC ACID
Common Name English
PENTOBARBITAL IMPURITY C [EP IMPURITY]
Common Name English
2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-(1-METHYLBUTYL)-
Systematic Name English
BARBITURIC ACID, 5-(1-METHYLBUTYL)-
Common Name English
PENTOBARBITAL SODIUM IMPURITY C [EP IMPURITY]
Common Name English
5-(1-METHYLBUTYL)-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE
Systematic Name English
NSC-92501
Code English
5-(SEC-PENTYL)BARBITURIC ACID
Common Name English
Code System Code Type Description
CAS
83-29-4
Created by admin on Sat Dec 16 13:05:28 UTC 2023 , Edited by admin on Sat Dec 16 13:05:28 UTC 2023
PRIMARY
ECHA (EC/EINECS)
201-465-4
Created by admin on Sat Dec 16 13:05:28 UTC 2023 , Edited by admin on Sat Dec 16 13:05:28 UTC 2023
PRIMARY
FDA UNII
T2UTA4V8KJ
Created by admin on Sat Dec 16 13:05:28 UTC 2023 , Edited by admin on Sat Dec 16 13:05:28 UTC 2023
PRIMARY
NSC
92501
Created by admin on Sat Dec 16 13:05:28 UTC 2023 , Edited by admin on Sat Dec 16 13:05:28 UTC 2023
PRIMARY
PUBCHEM
96897
Created by admin on Sat Dec 16 13:05:28 UTC 2023 , Edited by admin on Sat Dec 16 13:05:28 UTC 2023
PRIMARY
EPA CompTox
DTXSID401230129
Created by admin on Sat Dec 16 13:05:28 UTC 2023 , Edited by admin on Sat Dec 16 13:05:28 UTC 2023
PRIMARY
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