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Details

Stereochemistry ACHIRAL
Molecular Formula C27H29ClN4O5
Molecular Weight 524.996
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl 6-[4-(5-chloropentanamido)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate

SMILES

CCOC(=O)C1=NN(C2=C1CCN(C2=O)C3=CC=C(NC(=O)CCCCCl)C=C3)C4=CC=C(OC)C=C4

InChI

InChIKey=CQEYGVVPQQVSNL-UHFFFAOYSA-N
InChI=1S/C27H29ClN4O5/c1-3-37-27(35)24-22-15-17-31(19-9-7-18(8-10-19)29-23(33)6-4-5-16-28)26(34)25(22)32(30-24)20-11-13-21(36-2)14-12-20/h7-14H,3-6,15-17H2,1-2H3,(H,29,33)

HIDE SMILES / InChI

Molecular Formula C27H29ClN4O5
Molecular Weight 524.996
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 19:15:54 UTC 2023
Edited
by admin
on Sat Dec 16 19:15:54 UTC 2023
Record UNII
YM35NY7DA7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ethyl 6-[4-(5-chloropentanamido)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate
Systematic Name English
Apixaban Related Compound H
Common Name English
Apixaban Related Compound H [USP IMPURITY]
Common Name English
Apixaban Related Compound H [USP RS]
Common Name English
Apixaban Impurity 20
Common Name English
1H-Pyrazolo[3,4-c]pyridine-3-carboxylic acid, 6-[4-[(5-chloro-1-oxopentyl)amino]phenyl]-4,5,6,7-tetrahydro-1-(4-methoxyphenyl)-7-oxo-, ethyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
76155653
Created by admin on Sat Dec 16 19:15:55 UTC 2023 , Edited by admin on Sat Dec 16 19:15:55 UTC 2023
PRIMARY
FDA UNII
YM35NY7DA7
Created by admin on Sat Dec 16 19:15:55 UTC 2023 , Edited by admin on Sat Dec 16 19:15:55 UTC 2023
PRIMARY
CAS
1421823-20-2
Created by admin on Sat Dec 16 19:15:55 UTC 2023 , Edited by admin on Sat Dec 16 19:15:55 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY