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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 of ADAGRASIB

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 Thu Jul 06 19:52:39 UTC 2023
Edited
by admin
on Thu Jul 06 19:52:39 UTC 2023
Record UNII
8EOO6HQF8Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ADAGRASIB
USAN   INN  
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
KRAZATI
Brand 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
Created by admin on Thu Jul 06 19:52:40 UTC 2023 , Edited by admin on Thu Jul 06 19:52:40 UTC 2023
Code System Code Type Description
FDA UNII
8EOO6HQF8Y
Created by admin on Thu Jul 06 19:52:40 UTC 2023 , Edited by admin on Thu Jul 06 19:52:40 UTC 2023
PRIMARY
USAN
KL-25
Created by admin on Thu Jul 06 19:52:40 UTC 2023 , Edited by admin on Thu Jul 06 19:52:40 UTC 2023
PRIMARY
DRUG BANK
DB15568
Created by admin on Thu Jul 06 19:52:39 UTC 2023 , Edited by admin on Thu Jul 06 19:52:39 UTC 2023
PRIMARY
PUBCHEM
138611145
Created by admin on Thu Jul 06 19:52:40 UTC 2023 , Edited by admin on Thu Jul 06 19:52:40 UTC 2023
PRIMARY
WIKIPEDIA
Adagrasib
Created by admin on Thu Jul 06 19:52:40 UTC 2023 , Edited by admin on Thu Jul 06 19:52:40 UTC 2023
PRIMARY
NCI_THESAURUS
C157493
Created by admin on Thu Jul 06 19:52:40 UTC 2023 , Edited by admin on Thu Jul 06 19:52:40 UTC 2023
PRIMARY NCIT
CAS
2326521-71-3
Created by admin on Thu Jul 06 19:52:39 UTC 2023 , Edited by admin on Thu Jul 06 19:52:39 UTC 2023
PRIMARY
INN
11519
Created by admin on Thu Jul 06 19:52:40 UTC 2023 , Edited by admin on Thu Jul 06 19:52:40 UTC 2023
PRIMARY INN
DAILYMED
8EOO6HQF8Y
Created by admin on Thu Jul 06 19:52:39 UTC 2023 , Edited by admin on Thu Jul 06 19:52:39 UTC 2023
PRIMARY
EPA CompTox
DTXSID801336759
Created by admin on Thu Jul 06 19:52:39 UTC 2023 , Edited by admin on Thu Jul 06 19:52:39 UTC 2023
PRIMARY
SMS_ID
300000026691
Created by admin on Thu Jul 06 19:52:40 UTC 2023 , Edited by admin on Thu Jul 06 19:52:40 UTC 2023
PRIMARY
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