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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H21F3N4O3S
Molecular Weight 442.455
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALPELISIB ACID

SMILES

CC1=C(SC(NC(=O)N2CCC[C@H]2C(O)=O)=N1)C3=CC=NC(=C3)C(C)(C)C(F)(F)F

InChI

InChIKey=ZFOZUOSYVNYMPT-LBPRGKRZSA-N
InChI=1S/C19H21F3N4O3S/c1-10-14(11-6-7-23-13(9-11)18(2,3)19(20,21)22)30-16(24-10)25-17(29)26-8-4-5-12(26)15(27)28/h6-7,9,12H,4-5,8H2,1-3H3,(H,27,28)(H,24,25,29)/t12-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ALPELISIB ACID
Common Name English
(2S)-1-((4-METHYL-5-(2-(2,2,2-TRIFLUORO-1,1-DIMETHYL-ETHYL)-4-PYRIDYL)THIAZOL-2-YL)CARBAMOYL)PYRROLIDINE-2-CARBOXYLIC ACID
Systematic Name English
ALPELISIB METABOLITE M4
Code English
Code System Code Type Description
PUBCHEM
131842331
Created by admin on Sat Dec 16 11:29:25 GMT 2023 , Edited by admin on Sat Dec 16 11:29:25 GMT 2023
PRIMARY
FDA UNII
783V5Z8EJM
Created by admin on Sat Dec 16 11:29:25 GMT 2023 , Edited by admin on Sat Dec 16 11:29:25 GMT 2023
PRIMARY