Zilurgisertib fumarate anhydrous

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H38N4O3.C4H4O4
Molecular Weight	618.7199
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of Zilurgisertib fumarate anhydrous

Structure Search

SMILES

OC(=O)\C=C\C(O)=O.NC1=C(C=C(C=N1)C2=CC=C(C=C2)[C@@]34C[C@@H]3CN(C4)C5CCOCC5)C(=O)NC67CCC(O)(CC6)CC7

InChI

InChIKey=JYMHACJJTJNBGE-XESJLZEZSA-N

InChI=1S/C30H38N4O3.C4H4O4/c31-26-25(27(35)33-28-7-10-29(36,11-8-28)12-9-28)15-21(17-32-26)20-1-3-22(4-2-20)30-16-23(30)18-34(19-30)24-5-13-37-14-6-24;5-3(6)1-2-4(7)8/h1-4,15,17,23-24,36H,5-14,16,18-19H2,(H2,31,32)(H,33,35);1-2H,(H,5,6)(H,7,8)/b;2-1+/t23-,28?,29?,30+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C30H38N4O3
Molecular Weight	502.6477
Charge	0
Count

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

Molecular Formula	C4H4O4
Molecular Weight	116.0722
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:48:17 GMT 2023` Edited by `admin` on `Sat Dec 16 14:48:17 GMT 2023`
Record UNII	EB17Z475NZ
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Zilurgisertib fumarate anhydrous

Common Name

English

INCB000928 FUMARATE

Code

English

3-Pyridinecarboxamide, 2-amino-N-(4-hydroxybicyclo[2.2.2]oct-1-yl)-5-[4-[(1R,5S)-3-(tetrahydro-2H-pyran-4-yl)-3-azabicyclo[3.1.0]hex-1-yl]phenyl]-, (2E)-2-butenedioate (1:2)

Systematic Name

English

NBU-928 ANHYDROUS

Code

English

NBU928 ANHYDROUS

Code

English

2-AMINO-N-(4-HYDROXYBICYCLO(2.2.2)OCTAN-1-YL)-5-(4-((1R,5S)-3-(TETRAHYDRO-2H-PYRAN-4-YL)-3-AZABICYCLO(3.1.0)HEXAN-1-YL)PHENYL)NICOTINAMIDE FUMARATE

Systematic Name

English

INCB-000928 FUMARATE

Code

English

Code System Code Type Description

FDA UNII

EB17Z475NZ

Created by admin on Sat Dec 16 14:48:17 GMT 2023 , Edited by admin on Sat Dec 16 14:48:17 GMT 2023

PRIMARY

CAS

2173390-30-0

Created by admin on Sat Dec 16 14:48:17 GMT 2023 , Edited by admin on Sat Dec 16 14:48:17 GMT 2023

NON-SPECIFIC STOICHIOMETRY

PUBCHEM

138628907

Created by admin on Sat Dec 16 14:48:17 GMT 2023 , Edited by admin on Sat Dec 16 14:48:17 GMT 2023

PRIMARY

Related Record Type Details


					1R349830SB

Zilurgisertib Fumarate

SOLVATE->ANHYDROUS

Amount:

Related Record Type Details


					L5Z9S25HO2

Zilurgisertib

ACTIVE MOIETY

Amount: