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

Details

Stereochemistry	RACEMIC
Molecular Formula	C27H20ClFN4O5
Molecular Weight	534.923
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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

Structure Search

SMILES

COC1=CC(NC2=NC=C3C(O)N=C(C4=CC(Cl)=CC=C4C3=N2)C5=C(OC)C=CC=C5F)=CC=C1C(O)=O

InChI

InChIKey=MLDJPRSKKCBPHJ-UHFFFAOYSA-N

InChI=1S/C27H20ClFN4O5/c1-37-20-5-3-4-19(29)22(20)24-17-10-13(28)6-8-15(17)23-18(25(34)32-24)12-30-27(33-23)31-14-7-9-16(26(35)36)21(11-14)38-2/h3-12,25,34H,1-2H3,(H,35,36)(H,30,31,33)

HIDE SMILES / InChI

Molecular Formula	C27H20ClFN4O5
Molecular Weight	534.923
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:35:30 UTC 2023` Edited by `admin` on `Sat Dec 16 15:35:30 UTC 2023`
Record UNII	LX8YN9NND7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Systematic Name

English

HYDROXY-ALISERTIB

Common Name

English

ALISERTIB METABOLITE M3

Common Name

English

Code System Code Type Description

PUBCHEM

165412032

Created by admin on Sat Dec 16 15:35:30 UTC 2023 , Edited by admin on Sat Dec 16 15:35:30 UTC 2023

PRIMARY

FDA UNII

LX8YN9NND7

Created by admin on Sat Dec 16 15:35:30 UTC 2023 , Edited by admin on Sat Dec 16 15:35:30 UTC 2023

PRIMARY

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