Apixaban open ring amide

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H28N6O4
Molecular Weight	476.5276
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC=C(C=C1)N2N=C(C(N)=O)C3=C2C(=O)N(CC3)C4=CC=C(NCCCCC(N)=O)C=C4

InChI

InChIKey=OTKSZZJZOVQZCB-UHFFFAOYSA-N

InChI=1S/C25H28N6O4/c1-35-19-11-9-18(10-12-19)31-23-20(22(29-31)24(27)33)13-15-30(25(23)34)17-7-5-16(6-8-17)28-14-3-2-4-21(26)32/h5-12,28H,2-4,13-15H2,1H3,(H2,26,32)(H2,27,33)

HIDE SMILES / InChI

Molecular Formula	C25H28N6O4
Molecular Weight	476.5276
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 19:29:16 UTC 2023` Edited by `admin` on `Sat Dec 16 19:29:16 UTC 2023`
Record UNII	GCD769TY3L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Apixaban open ring amide

Common Name

English

Apixaban open ring amide [USP IMPURITY]

Common Name

English

1H-Pyrazolo[3,4-c]pyridine-3-carboxamide, 6-[4-[(5-amino-5-oxopentyl)amino]phenyl]-4,5,6,7-tetrahydro-1-(4-methoxyphenyl)-7-oxo-

Systematic Name

English

Apixaban Impurity 2

Common Name

English

6-{4-[(5-Amino-5-oxopentyl)amino]phenyl}-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide

Systematic Name

English

Apixaban Open Chain Amide

Common Name

English

Code System Code Type Description

CAS

2187409-01-2

Created by admin on Sat Dec 16 19:29:16 UTC 2023 , Edited by admin on Sat Dec 16 19:29:16 UTC 2023

PRIMARY

PUBCHEM

78358433

Created by admin on Sat Dec 16 19:29:16 UTC 2023 , Edited by admin on Sat Dec 16 19:29:16 UTC 2023

PRIMARY

FDA UNII

GCD769TY3L

Created by admin on Sat Dec 16 19:29:16 UTC 2023 , Edited by admin on Sat Dec 16 19:29:16 UTC 2023

PRIMARY

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