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Details

Stereochemistry ACHIRAL
Molecular Formula C19H15FN2O3
Molecular Weight 338.3324
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(8-FLUORO-6-METHYL-1-OXO-2,3,4,6-TETRAHYDRO-1H-AZEPINO(5,4,3-CD)INDOL-5-YL)BENZOIC ACID

SMILES

CN1C2=C3C(CCNC(=O)C3=CC(F)=C2)=C1C4=CC=C(C=C4)C(O)=O

InChI

InChIKey=HWSPNZHQECFQHX-UHFFFAOYSA-N
InChI=1S/C19H15FN2O3/c1-22-15-9-12(20)8-14-16(15)13(6-7-21-18(14)23)17(22)10-2-4-11(5-3-10)19(24)25/h2-5,8-9H,6-7H2,1H3,(H,21,23)(H,24,25)

HIDE SMILES / InChI

Molecular Formula C19H15FN2O3
Molecular Weight 338.3324
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:11:48 GMT 2023
Edited
by admin
on Sat Dec 16 15:11:48 GMT 2023
Record UNII
D57RNL9EV6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(8-FLUORO-6-METHYL-1-OXO-2,3,4,6-TETRAHYDRO-1H-AZEPINO(5,4,3-CD)INDOL-5-YL)BENZOIC ACID
Systematic Name English
RUCAPARIB METABOLITE M338
Common Name English
Code System Code Type Description
FDA UNII
D57RNL9EV6
Created by admin on Sat Dec 16 15:11:48 GMT 2023 , Edited by admin on Sat Dec 16 15:11:48 GMT 2023
PRIMARY
PUBCHEM
156613711
Created by admin on Sat Dec 16 15:11:48 GMT 2023 , Edited by admin on Sat Dec 16 15:11:48 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MAJOR
PLASMA