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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H21N3O2
Molecular Weight 335.3996
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2H-INDAZOLE-7-CARBOXYLIC ACID, 2-(4-(3S)-3-PIPERIDINYLPHENYL)-, METHYL ESTER

SMILES

COC(=O)C1=CC=CC2=CN(N=C12)C3=CC=C(C=C3)[C@@H]4CCCNC4

InChI

InChIKey=KVOTYRJIHODCAI-OAHLLOKOSA-N
InChI=1S/C20H21N3O2/c1-25-20(24)18-6-2-4-16-13-23(22-19(16)18)17-9-7-14(8-10-17)15-5-3-11-21-12-15/h2,4,6-10,13,15,21H,3,5,11-12H2,1H3/t15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H21N3O2
Molecular Weight 335.3996
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:34:34 UTC 2023
Edited
by admin
on Sat Dec 16 14:34:34 UTC 2023
Record UNII
L8RF9AG233
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2H-INDAZOLE-7-CARBOXYLIC ACID, 2-(4-(3S)-3-PIPERIDINYLPHENYL)-, METHYL ESTER
Systematic Name English
NIRAPARIB METABOLITE METHYLATED M1
Common Name English
Code System Code Type Description
PUBCHEM
141482258
Created by admin on Sat Dec 16 14:34:34 UTC 2023 , Edited by admin on Sat Dec 16 14:34:34 UTC 2023
PRIMARY
FDA UNII
L8RF9AG233
Created by admin on Sat Dec 16 14:34:34 UTC 2023 , Edited by admin on Sat Dec 16 14:34:34 UTC 2023
PRIMARY
CAS
2244220-34-4
Created by admin on Sat Dec 16 14:34:34 UTC 2023 , Edited by admin on Sat Dec 16 14:34:34 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
FECAL; PLASMA; URINE