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Details

Stereochemistry ACHIRAL
Molecular Formula C16H12N2O3
Molecular Weight 280.2781
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5,5-DIPHENYLBARBITURIC ACID

SMILES

O=C1NC(=O)C(C(=O)N1)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChIKey=IKVPZYAOGOJTLK-UHFFFAOYSA-N
InChI=1S/C16H12N2O3/c19-13-16(11-7-3-1-4-8-11,12-9-5-2-6-10-12)14(20)18-15(21)17-13/h1-10H,(H2,17,18,19,20,21)

HIDE SMILES / InChI

Molecular Formula C16H12N2O3
Molecular Weight 280.2781
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Structure-activity relationships for a large diverse set of natural, synthetic, and environmental estrogens.
2001 Mar
Study of 202 natural, synthetic, and environmental chemicals for binding to the androgen receptor.
2003 Oct
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.
2006 Nov
Substance Class Chemical
Created
by admin
on Sat Dec 16 13:06:30 GMT 2023
Edited
by admin
on Sat Dec 16 13:06:30 GMT 2023
Record UNII
UKJ3RFZ0Z4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5,5-DIPHENYLBARBITURIC ACID
Systematic Name English
2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5,5-DIPHENYL-
Systematic Name English
5,5-DIPHENYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE
Systematic Name English
NSC-80540
Code English
BARBITURIC ACID, 5,5-DIPHENYL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90176329
Created by admin on Sat Dec 16 13:06:30 GMT 2023 , Edited by admin on Sat Dec 16 13:06:30 GMT 2023
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PUBCHEM
46484
Created by admin on Sat Dec 16 13:06:30 GMT 2023 , Edited by admin on Sat Dec 16 13:06:30 GMT 2023
PRIMARY
FDA UNII
UKJ3RFZ0Z4
Created by admin on Sat Dec 16 13:06:30 GMT 2023 , Edited by admin on Sat Dec 16 13:06:30 GMT 2023
PRIMARY
NSC
80540
Created by admin on Sat Dec 16 13:06:30 GMT 2023 , Edited by admin on Sat Dec 16 13:06:30 GMT 2023
PRIMARY
CAS
21914-07-8
Created by admin on Sat Dec 16 13:06:30 GMT 2023 , Edited by admin on Sat Dec 16 13:06:30 GMT 2023
PRIMARY