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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H21F3N4O3S
Molecular Weight 442.4571
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALPELISIB ACID

SMILES

Cc1c(-c2ccnc(c2)C(C)(C)C(F)(F)F)sc(n1)N=C(N3CCC[C@@]3([H])C(=O)O)O

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

Molecular Formula C19H21F3N4O3S
Molecular Weight 442.4571
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 22:53:38 UTC 2021
Edited
by admin
on Fri Jun 25 22:53:38 UTC 2021
Record UNII
783V5Z8EJM
Record Status Validated (UNII)
Record Version
  • Download
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 Fri Jun 25 22:53:38 UTC 2021 , Edited by admin on Fri Jun 25 22:53:38 UTC 2021
PRIMARY
FDA UNII
783V5Z8EJM
Created by admin on Fri Jun 25 22:53:38 UTC 2021 , Edited by admin on Fri Jun 25 22:53:38 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE