U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C32H34ClFN6O3
Molecular Weight 605.102
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Talorasib

SMILES

CN1CCC[C@H]1COC2=NC(N3CCN([C@@H](CC#N)C3)C(=O)C(F)=C)=C4CO[C@@H](CC4=N2)C5=C6C(Cl)=CC=CC6=CC=C5

InChI

InChIKey=DOUDKPJUSUTSCJ-LXWOLXCRSA-N
InChI=1S/C32H34ClFN6O3/c1-20(34)31(41)40-15-14-39(17-22(40)11-12-35)30-25-19-42-28(24-9-3-6-21-7-4-10-26(33)29(21)24)16-27(25)36-32(37-30)43-18-23-8-5-13-38(23)2/h3-4,6-7,9-10,22-23,28H,1,5,8,11,13-19H2,2H3/t22-,23-,28-/m0/s1

HIDE SMILES / InChI

Molecular Formula C32H34ClFN6O3
Molecular Weight 605.102
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 11:07:42 GMT 2025
Edited
by admin
on Wed Apr 02 11:07:42 GMT 2025
Record UNII
727W6T7DPK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Piperazineacetonitrile, 4-[(7S)-7-(8-chloro-1-naphthalenyl)-7,8-dihydro-2-[[(2S)-1-methyl-2-pyrrolidinyl]methoxy]-5H-pyrano[4,3-d]pyrimidin-4-yl]-1-(2-fluoro-1-oxo-2-propen-1-yl)-, (2S)-
Preferred Name English
Talorasib
INN  
Official Name English
talorasib [INN]
Common Name English
(2S)-4-[(7S)-7-(8-Chloro-1-naphthalenyl)-7,8-dihydro-2-[[(2S)-1-methyl-2-pyrrolidinyl]methoxy]-5H-pyrano[4,3-d]pyrimidin-4-yl]-1-(2-fluoro-1-oxo-2-propen-1-yl)-2-piperazineacetonitrile
Systematic Name English
[(2S)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile
Systematic Name English
Code System Code Type Description
CAS
2620692-19-3
Created by admin on Wed Apr 02 11:07:42 GMT 2025 , Edited by admin on Wed Apr 02 11:07:42 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
SMS_ID
300000054571
Created by admin on Wed Apr 02 11:07:42 GMT 2025 , Edited by admin on Wed Apr 02 11:07:42 GMT 2025
PRIMARY
INN
12844
Created by admin on Wed Apr 02 11:07:42 GMT 2025 , Edited by admin on Wed Apr 02 11:07:42 GMT 2025
PRIMARY
NCI_THESAURUS
C206998
Created by admin on Wed Apr 02 11:07:42 GMT 2025 , Edited by admin on Wed Apr 02 11:07:42 GMT 2025
PRIMARY
CAS
2648584-48-7
Created by admin on Wed Apr 02 11:07:42 GMT 2025 , Edited by admin on Wed Apr 02 11:07:42 GMT 2025
PRIMARY
FDA UNII
727W6T7DPK
Created by admin on Wed Apr 02 11:07:42 GMT 2025 , Edited by admin on Wed Apr 02 11:07:42 GMT 2025
PRIMARY
PUBCHEM
156461318
Created by admin on Wed Apr 02 11:07:42 GMT 2025 , Edited by admin on Wed Apr 02 11:07:42 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY