AMCASERTIB

Details

Stereochemistry	ACHIRAL
Molecular Formula	C31H33N5O2S
Molecular Weight	539.691
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCN(CC)CCNC(=O)C1=C(C)NC(\C=C2/C(=O)NC3=C2C=C(C=C3)C4=CSC(=N4)C5=CC=CC=C5)=C1C

InChI

InChIKey=QDWKGEFGLQMDAM-ULJHMMPZSA-N

InChI=1S/C31H33N5O2S/c1-5-36(6-2)15-14-32-30(38)28-19(3)26(33-20(28)4)17-24-23-16-22(12-13-25(23)34-29(24)37)27-18-39-31(35-27)21-10-8-7-9-11-21/h7-13,16-18,33H,5-6,14-15H2,1-4H3,(H,32,38)(H,34,37)/b24-17-

HIDE SMILES / InChI

Molecular Formula	C31H33N5O2S
Molecular Weight	539.691
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:02:22 UTC 2023` Edited by `admin` on `Sat Dec 16 08:02:22 UTC 2023`
Record UNII	GLY8ABW25V
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

AMCASERTIB

Official Name

English

Amcasertib [WHO-DD]

Common Name

English

BBI503

Code

English

BBI-503

Code

English

AMCASERTIB [USAN]

Common Name

English

amcasertib [INN]

Common Name

English

1H-PYRROLE-3-CARBOXAMIDE, N-(2-(DIETHYLAMINO)ETHYL)-5-((1,2-DIHYDRO-2-OXO-5-(2-PHENYL-4-THIAZOLYL)-3H-INDOL-3-YLIDENE)METHYL)-2,4-DIMETHYL-

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C129825