ADAGRASIB

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H35ClFN7O2
Molecular Weight	604.117
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1CCC[C@H]1COC2=NC(N3CCN([C@@H](CC#N)C3)C(=O)C(F)=C)=C4CCN(CC4=N2)C5=C6C(Cl)=CC=CC6=CC=C5

InChI

InChIKey=PEMUGDMSUDYLHU-ZEQRLZLVSA-N

InChI=1S/C32H35ClFN7O2/c1-21(34)31(42)41-17-16-40(18-23(41)11-13-35)30-25-12-15-39(28-10-4-7-22-6-3-9-26(33)29(22)28)19-27(25)36-32(37-30)43-20-24-8-5-14-38(24)2/h3-4,6-7,9-10,23-24H,1,5,8,11-12,14-20H2,2H3/t23-,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C32H35ClFN7O2
Molecular Weight	604.117
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 `Sun Dec 18 14:22:43 UTC 2022` Edited by `admin` on `Sun Dec 18 14:22:43 UTC 2022`
Record UNII	8EOO6HQF8Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ADAGRASIB

Official Name

English

2-PIPERAZINEACETONITRILE, 4-(7-(8-CHLORO-1-NAPHTHALENYL)-5,6,7,8-TETRAHYDRO-2-(((2S)-1-METHYL-2-PYRROLIDINYL)METHOXY)PYRIDO(3,4-D)PYRIMIDIN-4-YL)-1-(2-FLUORO-1-OXO-2-PROPEN-1-YL)-, (2S)-

Systematic Name

English

MRTX-849

Code

English

adagrasib [INN]

Common Name

English

KRAS G12C INHIBITOR MRTX849

Common Name

English

ADAGRASIB [USAN]

Common Name

English

Adagrasib [WHO-DD]

Common Name

English

((2S)-4-(7-(8-CHLORONAPHTHALEN-1-YL)-2-(((2S)-1- METHYLPYRROLIDIN-2-YL)METHOXY)-5,6,7,8- TETRAHYDROPYRIDO(3,4-D)PYRIMIDIN-4-YL)-1-(2-FLUOROPROP2-ENOYL)PIPERAZIN-2-YL)ACETONITRILE

Systematic Name

English

MRTX849

Code

English

Classification Tree Code System Code

FDA ORPHAN DRUG

756320