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Details

Stereochemistry MIXED
Molecular Formula C12H20N2O4
Molecular Weight 256.2982
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(2-HYDROXYPROPYL)-5-(1-METHYLBUTYL) BARBITURIC ACID

SMILES

CCCC(C)C1(CC(C)O)C(=O)NC(=O)NC1=O

InChI

InChIKey=LEAROGYCWPDCOS-UHFFFAOYSA-N
InChI=1S/C12H20N2O4/c1-4-5-7(2)12(6-8(3)15)9(16)13-11(18)14-10(12)17/h7-8,15H,4-6H2,1-3H3,(H2,13,14,16,17,18)

HIDE SMILES / InChI

Molecular Formula C12H20N2O4
Molecular Weight 256.2982
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:49:10 GMT 2025
Edited
by admin
on Mon Mar 31 22:49:10 GMT 2025
Record UNII
4WTM4J036B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-289471
Preferred Name English
5-(2-HYDROXYPROPYL)-5-(1-METHYLBUTYL) BARBITURIC ACID
Systematic Name English
2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-(2-HYDROXYPROPYL)-5-(1-METHYLBUTYL)-
Systematic Name English
SECOBARBITAL SODIUM, 2-HYDROXY PROPYL IMPURITY- [USP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
4WTM4J036B
Created by admin on Mon Mar 31 22:49:10 GMT 2025 , Edited by admin on Mon Mar 31 22:49:10 GMT 2025
PRIMARY
PUBCHEM
324328
Created by admin on Mon Mar 31 22:49:10 GMT 2025 , Edited by admin on Mon Mar 31 22:49:10 GMT 2025
PRIMARY
NSC
289471
Created by admin on Mon Mar 31 22:49:10 GMT 2025 , Edited by admin on Mon Mar 31 22:49:10 GMT 2025
PRIMARY
CAS
33841-18-8
Created by admin on Mon Mar 31 22:49:10 GMT 2025 , Edited by admin on Mon Mar 31 22:49:10 GMT 2025
PRIMARY
EPA CompTox
DTXSID40955429
Created by admin on Mon Mar 31 22:49:10 GMT 2025 , Edited by admin on Mon Mar 31 22:49:10 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY