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Details

Stereochemistry ACHIRAL
Molecular Formula C9H8N2O2
Molecular Weight 176.172
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-HYDROXY-2-METHYL-4(3H)-QUINAZOLINONE

SMILES

CC1=NC2=C(O)C=CC=C2C(=O)N1

InChI

InChIKey=YJDAOHJWLUNFLX-UHFFFAOYSA-N
InChI=1S/C9H8N2O2/c1-5-10-8-6(9(13)11-5)3-2-4-7(8)12/h2-4,12H,1H3,(H,10,11,13)

HIDE SMILES / InChI

Molecular Formula C9H8N2O2
Molecular Weight 176.172
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P09874
Gene ID: 142.0
Gene Symbol: PARP1
Target Organism: Homo sapiens (Human)
400.0 nM [IC50]
Substance Class Chemical
Created
by admin
on Tue Apr 01 16:29:26 GMT 2025
Edited
by admin
on Tue Apr 01 16:29:26 GMT 2025
Record UNII
X5ZL2C7V9B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-696807
Preferred Name English
8-HYDROXY-2-METHYL-4(3H)-QUINAZOLINONE
Systematic Name English
NU-1025
Code English
4(1H)-QUINAZOLINONE, 8-HYDROXY-2-METHYL-
Systematic Name English
4(3H)-QUINAZOLINONE, 8-HYDROXY-2-METHYL-
Systematic Name English
Code System Code Type Description
PUBCHEM
135398517
Created by admin on Tue Apr 01 16:29:26 GMT 2025 , Edited by admin on Tue Apr 01 16:29:26 GMT 2025
PRIMARY
NSC
696807
Created by admin on Tue Apr 01 16:29:26 GMT 2025 , Edited by admin on Tue Apr 01 16:29:26 GMT 2025
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CAS
90417-38-2
Created by admin on Tue Apr 01 16:29:26 GMT 2025 , Edited by admin on Tue Apr 01 16:29:26 GMT 2025
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DRUG BANK
DB02690
Created by admin on Tue Apr 01 16:29:26 GMT 2025 , Edited by admin on Tue Apr 01 16:29:26 GMT 2025
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FDA UNII
X5ZL2C7V9B
Created by admin on Tue Apr 01 16:29:26 GMT 2025 , Edited by admin on Tue Apr 01 16:29:26 GMT 2025
PRIMARY
EPA CompTox
DTXSID20238166
Created by admin on Tue Apr 01 16:29:26 GMT 2025 , Edited by admin on Tue Apr 01 16:29:26 GMT 2025
PRIMARY