Crelosidenib

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H36N6O3
Molecular Weight	504.6238
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCN1C(=O)OCC2=CN=C(N[C@@H](C)C3=CC=C(C=C3)[C@H](CC4CC4)N5CCN(CC5)C(=O)C=C)N=C12

InChI

InChIKey=AFGYODUJVVOZAX-CYFREDJKSA-N

InChI=1S/C28H36N6O3/c1-4-25(35)33-14-12-32(13-15-33)24(16-20-6-7-20)22-10-8-21(9-11-22)19(3)30-27-29-17-23-18-37-28(36)34(5-2)26(23)31-27/h4,8-11,17,19-20,24H,1,5-7,12-16,18H2,2-3H3,(H,29,30,31)/t19-,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H36N6O3
Molecular Weight	504.6238
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:10:03 GMT 2023` Edited by `admin` on `Sat Dec 16 16:10:03 GMT 2023`
Record UNII	A4DU555RMD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Crelosidenib

Official Name

English

7-(((S)-1-(4-((S)-1-(4-acryloylpiperazin-1-yl)-2-cyclopropylethyl)phenyl)ethyl)amino)-1-ethyl-1,4-dihydro-2H-pyrimido[4,5-d][1,3]oxazin-2-one bis(2,5-dihdroxybenzoate)

Systematic Name

English

LY3410738

Code

English

LSN3856920

Code

English

LY-3410738

Code

English

CRELOSIDENIB [USAN]

Common Name

English

LSN-3856920

Code

English

2H-Pyrimido[4,5-d][1,3]oxazin-2-one, 7-[[(1S)-1-[4-[(1S)-2-cyclopropyl-1-[4-(1-oxo-2-propen-1-yl)-1-piperazinyl]ethyl]phenyl]ethyl]amino]-1-ethyl-1,4-dihydro-

Systematic Name

English

Code System Code Type Description

FDA UNII

A4DU555RMD