O-DESMETHYL ALISERTIB

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H18ClFN4O4
Molecular Weight	504.897
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(NC2=NC=C3CN=C(C4=CC(Cl)=CC=C4C3=N2)C5=C(O)C=CC=C5F)=CC=C1C(O)=O

InChI

InChIKey=UDSRUEBASZTLQC-UHFFFAOYSA-N

InChI=1S/C26H18ClFN4O4/c1-36-21-10-15(6-8-17(21)25(34)35)31-26-30-12-13-11-29-24(22-19(28)3-2-4-20(22)33)18-9-14(27)5-7-16(18)23(13)32-26/h2-10,12,33H,11H2,1H3,(H,34,35)(H,30,31,32)

HIDE SMILES / InChI

Molecular Formula	C26H18ClFN4O4
Molecular Weight	504.897
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 `Wed Apr 02 06:21:17 GMT 2025` Edited by `admin` on `Wed Apr 02 06:21:17 GMT 2025`
Record UNII	8NJ4N1L7PN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

O-DESMETHYL ALISERTIB

Common Name

English

ALISERTIB METABOLITE M2

Preferred Name

English

BENZOIC ACID, 4-((9-CHLORO-7-(2-FLUORO-6-HYDROXYPHENYL)-5H-PYRIMIDO(5,4-D)(2)BENZAZEPIN-2-YL)AMINO)-2-METHOXY-

Systematic Name

English

Code System Code Type Description

PUBCHEM

136013912

Created by admin on Wed Apr 02 06:21:17 GMT 2025 , Edited by admin on Wed Apr 02 06:21:17 GMT 2025

PRIMARY

CAS

1028486-04-5

Created by admin on Wed Apr 02 06:21:17 GMT 2025 , Edited by admin on Wed Apr 02 06:21:17 GMT 2025

PRIMARY

FDA UNII

8NJ4N1L7PN

Created by admin on Wed Apr 02 06:21:17 GMT 2025 , Edited by admin on Wed Apr 02 06:21:17 GMT 2025

PRIMARY

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