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Details

Stereochemistry ABSOLUTE
Molecular Formula C53H59ClF3N6O10PS3
Molecular Weight 1159.687
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Foselutoclax

SMILES

CC(C)N1C(C)=C(C(O)=O)C(=C1C2=CC=C(Cl)C=C2)C3=CC=CC(=C3)N4CCN(CC4)C5=CC=C(NS(=O)(=O)C6=CC=C(N[C@H](CCN7CCC(CC7)OP(O)(O)=O)CSC8=CC=CC=C8)C(=C6)S(=O)(=O)C(F)(F)F)C=C5

InChI

InChIKey=FSZILRQCEAUYPL-VQJSHJPSSA-N
InChI=1S/C53H59ClF3N6O10PS3/c1-35(2)63-36(3)49(52(64)65)50(51(63)37-12-14-39(54)15-13-37)38-8-7-9-43(32-38)62-30-28-61(29-31-62)42-18-16-40(17-19-42)59-77(71,72)46-20-21-47(48(33-46)76(69,70)53(55,56)57)58-41(34-75-45-10-5-4-6-11-45)22-25-60-26-23-44(24-27-60)73-74(66,67)68/h4-21,32-33,35,41,44,58-59H,22-31,34H2,1-3H3,(H,64,65)(H2,66,67,68)/t41-/m1/s1

HIDE SMILES / InChI

Molecular Formula C53H59ClF3N6O10PS3
Molecular Weight 1159.687
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
VT53CL5GES
Record Status Validated (UNII)
Record Version