Emavusertib Phosphate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H25N7O5.H3O4P
Molecular Weight	589.4944
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OP(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=VJPANLKVEFNCDL-PKLMIRHRSA-N

InChI=1S/C24H25N7O5.H3O4P/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);(H3,1,2,3,4)/t16-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	H3O4P
Molecular Weight	97.9952
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
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 19:52:38 UTC 2023` Edited by `admin` on `Sat Dec 16 19:52:38 UTC 2023`
Record UNII	E9Y7VY8MN2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Emavusertib Phosphate

Official Name

English

EMAVUSERTIB PHOSPHATE [USAN]

Common Name

English

N-{5-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(morpholin-4-yl)[1,3]oxazolo[4,5-b]pyridin-6-yl}-2-(2-methylpyridin-4-yl)-1,3-oxazole-4-carboxamide phosphate

Systematic Name

English

CA-4948-phosphate

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)-, phosphate (1:1)

Systematic Name

English

Code System Code Type Description

NCI_THESAURUS

C199039