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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 METABOLITE M4

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

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

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 13:07:36 UTC 2019
Edited
by admin
on Tue Oct 22 13:07:36 UTC 2019
Record UNII
783V5Z8EJM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALPELISIB METABOLITE M4
Code English
Related Record Type Details
PARENT -> METABOLITE