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Details

Stereochemistry ABSOLUTE
Molecular Formula C46H55F6N3O4
Molecular Weight 827.937
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DUTASTERIDE .BETA. DIMER

SMILES

C[C@]12CC[C@H]3[C@@H](CC[C@H]4N(C(=O)[C@H]5CC[C@H]6[C@@H]7CC[C@H]8NC(=O)C=C[C@]8(C)[C@H]7CC[C@]56C)C(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)NC9=CC(=CC=C9C(F)(F)F)C(F)(F)F

InChI

InChIKey=VHEQRKYIOQGSHW-WUMOMAKDSA-N
InChI=1S/C46H55F6N3O4/c1-41-19-16-30-26(27(41)9-11-32(41)39(58)53-34-23-24(45(47,48)49)5-8-31(34)46(50,51)52)7-14-36-44(30,4)22-18-38(57)55(36)40(59)33-12-10-28-25-6-13-35-43(3,21-17-37(56)54-35)29(25)15-20-42(28,33)2/h5,8,17-18,21-23,25-30,32-33,35-36H,6-7,9-16,19-20H2,1-4H3,(H,53,58)(H,54,56)/t25-,26-,27-,28-,29-,30-,32+,33+,35+,36+,41-,42-,43+,44+/m0/s1

HIDE SMILES / InChI

Molecular Formula C46H55F6N3O4
Molecular Weight 827.937
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 14 / 14
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
SJG228NT4N
Record Status Validated (UNII)
Record Version