Emavusertib Maleate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H25N7O5.C4H4O4
Molecular Weight	607.5714
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C/C(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=QSWIKENPDOWHAZ-MLCLTIQSSA-N

InChI=1S/C24H25N7O5.C4H4O4/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;5-3(6)1-2-4(7)8/h2,4,10-11,13,16,32H,3,5-9,12H2,1H3,(H,26,33);1-2H,(H,5,6)(H,7,8)/b;2-1-/t16-;/m1./s1

HIDE SMILES / InChI

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:53:42 UTC 2023` Edited by `admin` on `Sat Dec 16 19:53:42 UTC 2023`
Record UNII	ZL9N97BGM9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Emavusertib Maleate

Official Name

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)-, (2Z)-2-butenedioate (1:1)

Systematic Name

English

CA-4948 maleate

Code

English

EMAVUSERTIB MALEATE [USAN]

Common Name

English

Code System Code Type Description

NCI_THESAURUS

C199037