Plogosertib

Details

Stereochemistry	ACHIRAL
Molecular Formula	C34H48N8O3
Molecular Weight	616.7967
Optical Activity	NONE
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(NC2=NC=C3N(C)C(=O)C4(CC4)CN(C5CCCC5)C3=N2)C=CC(=C1)C(=O)N[C@H]6CC[C@@H](CC6)N7CCN(C)CC7

InChI

InChIKey=UFNLNMWVOMFWGS-SOAUALDESA-N

InChI=1S/C34H48N8O3/c1-39-16-18-41(19-17-39)25-11-9-24(10-12-25)36-31(43)23-8-13-27(29(20-23)45-3)37-33-35-21-28-30(38-33)42(26-6-4-5-7-26)22-34(14-15-34)32(44)40(28)2/h8,13,20-21,24-26H,4-7,9-12,14-19,22H2,1-3H3,(H,36,43)(H,35,37,38)/t24-,25-

HIDE SMILES / InChI

Molecular Formula	C34H48N8O3
Molecular Weight	616.7967
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:40:53 GMT 2023` Edited by `admin` on `Sat Dec 16 14:40:53 GMT 2023`
Record UNII	IW5U2LC9XI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Plogosertib

Official Name

English

plogosertib [INN]

Common Name

English

4-[(9'-cyclopentyl-5'-methyl-6'-oxo-5',6',8',9'-tetrahydrospiro[cyclopropane-1,7'-pyrimido[4,5-b][1,4]diazepin]-2'-yl)amino]-3-methoxy-N-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]benzamide

Systematic Name

English

4-((9'-CYCLOPENTYL-8',9'-DIHYDRO-5'-METHYL-6'-OXOSPIRO(CYCLOPROPANE-1,7'-(7H)PYRIMIDO(4,5-B)(1,4)DIAZEPINE)-2'(5'H)-YL)AMINO)-3-METHOXY-N-(TRANS-4-(4-METHYL-1-PIPERAZINYL)CYCLOHEXYL)-BENZAMIDE

Systematic Name

English

BENZAMIDE, 4-((9'-CYCLOPENTYL-8',9'-DIHYDRO-5'-METHYL-6'-OXOSPIRO(CYCLOPROPANE-1,7'-(7H)PYRIMIDO(4,5-B)(1,4)DIAZEPINE)-2'(5'H)-YL)AMINO)-3-METHOXY-N-(TRANS-4-(4-METHYL-1-PIPERAZINYL)CYCLOHEXYL)-

Systematic Name

English

Code System Code Type Description

FDA UNII

IW5U2LC9XI

Created by admin on Sat Dec 16 14:40:54 GMT 2023 , Edited by admin on Sat Dec 16 14:40:54 GMT 2023

PRIMARY

CAS

1137212-79-3

Created by admin on Sat Dec 16 14:40:54 GMT 2023 , Edited by admin on Sat Dec 16 14:40:54 GMT 2023

PRIMARY

NCI_THESAURUS

C162375

Created by admin on Sat Dec 16 14:40:54 GMT 2023 , Edited by admin on Sat Dec 16 14:40:54 GMT 2023

PRIMARY

INN

12245

Created by admin on Sat Dec 16 14:40:54 GMT 2023 , Edited by admin on Sat Dec 16 14:40:54 GMT 2023

PRIMARY

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