Tilpisertib Fosmecarbil

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C35H36ClN8O7P
Molecular Weight	747.137
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1C=CC2=C(C=CC=C2C1=O)[C@H](N(C(=O)OCOP(O)(O)=O)C3=CC(Cl)=C4N=CC(C#N)=C(NCC(C)(C)C)C4=C3)C5=CN(N=N5)C67CC(C6)C7

InChI

InChIKey=FPQIBCPWXJSFOQ-ILNPBIMBSA-N

InChI=1S/C35H36ClN8O7P/c1-34(2,3)18-39-29-21(15-37)16-38-30-26(29)10-22(11-27(30)36)44(33(46)50-19-51-52(47,48)49)31(28-17-43(41-40-28)35-12-20(13-35)14-35)24-6-5-7-25-23(24)8-9-42(4)32(25)45/h5-11,16-17,20,31H,12-14,18-19H2,1-4H3,(H,38,39)(H2,47,48,49)/t20?,31-,35?/m0/s1

HIDE SMILES / InChI

Molecular Formula	C35H36ClN8O7P
Molecular Weight	747.137
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:23:35 UTC 2023` Edited by `admin` on `Sat Dec 16 19:23:35 UTC 2023`
Record UNII	H1W0G02O9T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Tilpisertib Fosmecarbil

Official Name

English

tilpisertib fosmecarbil [INN]

Common Name

English

(phosphonooxy)methyl N-[(S)-[1-(bicyclo[1.1.1]pentan-1-yl)-1H-1,2,3-triazol-4-yl](2-methyl-1-oxo-1,2-dihydroisoquinolin-5-yl)methyl]-N-{8-chloro-3-cyano-4-[(2,2-dimethylpropyl)amino]quinolin-6-yl]carbamate

Systematic Name

English

Code System Code Type Description

CAS

2567459-64-5