CP-724714 SESQUISUCCINATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C27H27N5O3.3C4H6O4
Molecular Weight	1293.3341
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)CCC(O)=O.OC(=O)CCC(O)=O.OC(=O)CCC(O)=O.COCC(=O)NC\C=C\C1=CC=C2N=CN=C(NC3=CC=C(OC4=CC=C(C)N=C4)C(C)=C3)C2=C1.COCC(=O)NC\C=C\C5=CC=C6N=CN=C(NC7=CC=C(OC8=CC=C(C)N=C8)C(C)=C7)C6=C5

InChI

InChIKey=QCQCPVIRLYJQCG-NZTFDADUSA-N

InChI=1S/2C27H27N5O3.3C4H6O4/c2*1-18-13-21(8-11-25(18)35-22-9-6-19(2)29-15-22)32-27-23-14-20(7-10-24(23)30-17-31-27)5-4-12-28-26(33)16-34-3;3*5-3(6)1-2-4(7)8/h2*4-11,13-15,17H,12,16H2,1-3H3,(H,28,33)(H,30,31,32);3*1-2H2,(H,5,6)(H,7,8)/b2*5-4+;;;

HIDE SMILES / InChI

Molecular Formula	C27H27N5O3
Molecular Weight	469.535
Charge	0
Count

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

Molecular Formula	C4H6O4
Molecular Weight	118.088
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 `Fri Dec 15 15:59:09 UTC 2023` Edited by `admin` on `Fri Dec 15 15:59:09 UTC 2023`
Record UNII	D9MYY7U9N1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CP-724714 SESQUISUCCINATE

Common Name

English

BUTANEDIOIC ACID, COMPD. WITH 2-METHOXY-N-((2E)-3-(4-((3-METHYL-4-((6-METHYL-3-PYRIDINYL)OXY)PHENYL)AMINO)-6-QUINAZOLINYL)-2-PROPEN-1-YL)ACETAMIDE (3:2)

Systematic Name

English

2-METHOXY-N-((2E)-3-(4-(3-METHYL-4-(6-METHYL-3-PYRIDINYL)OXY)PHENYLAMINO)-(6-QUINAZOLINYL)-2-PROPENYL)-ACETAMIDE, BUTANEDIOIC ACID 2:3

Common Name

English

Code System Code Type Description

PUBCHEM

11981427

Created by admin on Fri Dec 15 15:59:09 UTC 2023 , Edited by admin on Fri Dec 15 15:59:09 UTC 2023

PRIMARY

CAS

543681-31-8