Emavusertib Mesylate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H25N7O5.CH4O3S
Molecular Weight	587.605
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(O)(=O)=O.CC1=CC(=CC=N1)C2=NC(=CO2)C(=O)NC3=C(N=C4N=C(OC4=C3)N5CCOCC5)N6CC[C@@H](O)C6

InChI

InChIKey=YJFLLPKMVILANE-PKLMIRHRSA-N

InChI=1S/C24H25N7O5.CH4O3S/c1-14-10-15(2-4-25-14)23-27-18(13-35-23)22(33)26-17-11-19-20(28-21(17)31-5-3-16(32)12-31)29-24(36-19)30-6-8-34-9-7-30;1-5(2,3)4/h2,4,10-11,13,16,32H,3,5-9,12H2,1H3,(H,26,33);1H3,(H,2,3,4)/t16-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C24H25N7O5
Molecular Weight	491.4992
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 `Sat Dec 16 19:53:41 UTC 2023` Edited by `admin` on `Sat Dec 16 19:53:41 UTC 2023`
Record UNII	229SS9C9WN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Emavusertib Mesylate

Official Name

English

CA-4948 mesylate

Code

English

4-Oxazolecarboxamide, N-[5-[(3R)-3-hydroxy-1-pyrrolidinyl]-2-(4-morpholinyl)oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-, methanesulfonate (1:1)

Systematic Name

English

(R)-N-{5-(3-Hydroxypyrrolidin-1-yl)-2-morpholinooxazolo[4,5-b]pyridin-6-yl}-2-(2-methylpyridin-4-yl)oxazole-4-carboxamide methanesulfonate

Systematic Name

English

EMAVUSERTIB MESYLATE [USAN]

Common Name

English

Code System Code Type Description

NCI_THESAURUS

C199038