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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

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])N(C(=O)[C@@]5([H])CC[C@@]6([H])[C@]7([H])CC[C@@]8([H])NC(=O)C=C[C@]8(C)[C@@]7([H])CC[C@]56C)C(=O)C=C[C@]4(C)[C@@]3([H])CC[C@]12C)C(=O)NC9=C(C=CC(=C9)C(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
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 14 / 14
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:53:10 GMT 2023
Edited
by admin
on Sat Dec 16 18:53:10 GMT 2023
Record UNII
SJG228NT4N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DUTASTERIDE .BETA. DIMER
Common Name English
DUTASTERIDE DIMER 2
Common Name English
DUTASTERIDE IMPURITY I [EP IMPURITY]
Common Name English
1H-INDENO(5,4-F)QUINOLINE-7-CARBOXAMIDE, N-(2,5-BIS(TRIFLUOROMETHYL)PHENYL)-2,4A,4B,5,6,6A,7,8,9,9A,9B,10,11,11A-TETRADECAHYDRO-4A,6A-DIMETHYL-2-OXO-1-(((4AR,4BS,6AS,7S,9AS,9BS,11AR)-2,4A,4B,5,6,6A,7,8,9,9A,9B,10,11,11A-TETRADECAHYDRO-4A,6A-DIMETHYL-2-OX
Systematic Name English
N-(2,5-BIS(TRIFLUOROMETHYL)PHENYL)-3-OXO-4-(3-OXO-4-AZA-5.ALPHA.-ANDROST-1-ENE-17.BETA.-CARBONYL)-4-AZA-5.ALPHA.-ANDROST-1-ENE-17.BETA.-CARBOXAMIDE
Systematic Name English
Code System Code Type Description
CAS
1648593-70-7
Created by admin on Sat Dec 16 18:53:10 GMT 2023 , Edited by admin on Sat Dec 16 18:53:10 GMT 2023
PRIMARY
FDA UNII
SJG228NT4N
Created by admin on Sat Dec 16 18:53:10 GMT 2023 , Edited by admin on Sat Dec 16 18:53:10 GMT 2023
PRIMARY
PUBCHEM
127258087
Created by admin on Sat Dec 16 18:53:10 GMT 2023 , Edited by admin on Sat Dec 16 18:53:10 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP