4-AMINO-N-(3-NITRO-4-(TETRAHYDROPYRAN-4-YLMETHYLAMINO)PHENYL)SULFONYL-2-(1H-PYRROLO(2,3-B)PYRIDIN-5-YLOXY)BENZAMIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H26N6O7S
Molecular Weight	566.586
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-AMINO-N-(3-NITRO-4-(TETRAHYDROPYRAN-4-YLMETHYLAMINO)PHENYL)SULFONYL-2-(1H-PYRROLO(2,3-B)PYRIDIN-5-YLOXY)BENZAMIDE

Structure Search

SMILES

NC1=CC=C(C(=O)NS(=O)(=O)C2=CC=C(NCC3CCOCC3)C(=C2)[N+]([O-])=O)C(OC4=CN=C5NC=CC5=C4)=C1

InChI

InChIKey=NBYBCZBNGVOSOH-UHFFFAOYSA-N

InChI=1S/C26H26N6O7S/c27-18-1-3-21(24(12-18)39-19-11-17-5-8-28-25(17)30-15-19)26(33)31-40(36,37)20-2-4-22(23(13-20)32(34)35)29-14-16-6-9-38-10-7-16/h1-5,8,11-13,15-16,29H,6-7,9-10,14,27H2,(H,28,30)(H,31,33)

HIDE SMILES / InChI

Molecular Formula	C26H26N6O7S
Molecular Weight	566.586
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 14:38:16 UTC 2023` Edited by `admin` on `Sat Dec 16 14:38:16 UTC 2023`
Record UNII	M8QMQ3XD5E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-AMINO-N-(3-NITRO-4-(TETRAHYDROPYRAN-4-YLMETHYLAMINO)PHENYL)SULFONYL-2-(1H-PYRROLO(2,3-B)PYRIDIN-5-YLOXY)BENZAMIDE

Systematic Name

English

VENETOCLAX METABOLITE M11

Common Name

English

Code System Code Type Description

FDA UNII

M8QMQ3XD5E

Created by admin on Sat Dec 16 14:38:16 UTC 2023 , Edited by admin on Sat Dec 16 14:38:16 UTC 2023

PRIMARY

PUBCHEM

156596857

Created by admin on Sat Dec 16 14:38:16 UTC 2023 , Edited by admin on Sat Dec 16 14:38:16 UTC 2023

PRIMARY

Related Record Type Details


					N54AIC43PW

VENETOCLAX

PARENT -> METABOLITE