ISPINESIB MESYLATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H33ClN4O2.CH4O3S
Molecular Weight	613.167
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(O)(=O)=O.CC(C)[C@@H](N(CCCN)C(=O)C1=CC=C(C)C=C1)C2=NC3=CC(Cl)=CC=C3C(=O)N2CC4=CC=CC=C4

InChI

InChIKey=MRKSDPIHUJSKRA-HZPIKELBSA-N

InChI=1S/C30H33ClN4O2.CH4O3S/c1-20(2)27(34(17-7-16-32)29(36)23-12-10-21(3)11-13-23)28-33-26-18-24(31)14-15-25(26)30(37)35(28)19-22-8-5-4-6-9-22;1-5(2,3)4/h4-6,8-15,18,20,27H,7,16-17,19,32H2,1-3H3;1H3,(H,2,3,4)/t27-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C30H33ClN4O2
Molecular Weight	517.062
Charge	0
Count

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

Molecular Formula	CH4O3S
Molecular Weight	96.106
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 15:52:35 UTC 2023` Edited by `admin` on `Fri Dec 15 15:52:35 UTC 2023`
Record UNII	R6ZMD4UH3D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISPINESIB MESYLATE

Official Name

English

CK0238273

Code

English

ISPINESIB MESYLATE [USAN]

Common Name

English

N-(3-AMINOPROPYL)-N-((1R)-1-(3-BENZYL-7-CHLORO-4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)-2-METHYLPROPYL)-4-METHYLBENZAMIDE MONOMETHANESULPHONATE

Systematic Name

English

BENZAMIDE, N-(3-AMINOPROPYL)-N-((1R)-1-(7-CHLORO-3,4-DIHYDRO-4-OXO-3-(PHENYLMETHYL)-2-QUINAZOLINYL)-2-METHYLPROPYL)-4-METHYL-, MONOMETHANESULFONATE

Systematic Name

English

Ispinesib mesilate [WHO-DD]

Common Name

English

SB-715992-S

Code

English

CK-0238273

Code

English

N-(3-Aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxo-3,4-dihydroquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide monomethanesulfonate

Systematic Name

English

ISPINESIB MESILATE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C67440