Sosimerasib

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H39ClFN7O4
Molecular Weight	688.191
Optical Activity	UNSPECIFIED
Additional Stereochemistry	Yes
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0
Stereo Comments	AXIAL, R

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C1=NC=CC(C)=C1N2C(=O)C3=C(N4C[C@@H](C)N(C[C@@H]4C(=O)N3CCN(C)C)C(=O)C=C)C5=C2N=C(C(Cl)=C5)C6=C(O)C=CC=C6F

InChI

InChIKey=QIOARTLVVJUNFM-PXDATVDWSA-N

InChI=1S/C36H39ClFN7O4/c1-8-27(47)43-18-25-35(48)42(15-14-41(6)7)33-32(44(25)17-21(43)5)22-16-23(37)30(28-24(38)10-9-11-26(28)46)40-34(22)45(36(33)49)31-20(4)12-13-39-29(31)19(2)3/h8-13,16,19,21,25,46H,1,14-15,17-18H2,2-7H3/t21-,25-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

Sosimerasib

Official Name

English

(2R,4aR,8M)-11-chloro-6-[2-(dimethylamino)ethyl]-10-(2-fluoro-6-hydroxyphenyl)-2-methyl-8-[4-methyl-2-(propan-2-yl)pyridin-3-yl]-3-(prop-2-enoyl)-2,3,4,4a,6,8-hexahydro-1Hpyrazino[1',2':4,5]pyrazino[2,3-c][1,8]naphthyridine-5,7-dione

Preferred Name

English

1H-Pyrazino[1?,2?:4,5]pyrazino[2,3-c][1,8]naphthyridine-5,7-dione, 11-chloro-6-[2-(dimethylamino)ethyl]-10-(2-fluoro-6-hydroxyphenyl)-2,3,4,4a,6,8-hexahydro-2-methyl-8-[4-methyl-2-(1-methylethyl)-3-pyridinyl]-3-(1-oxo-2-propen-1-yl)-, (2R,4aR,8R)-

Common Name

English

sosimerasib [INN]

Common Name

English

Code System Code Type Description

CAS

2633665-97-9