U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C48H58F4O8S4
Molecular Weight 967.223
Optical Activity UNSPECIFIED
Defined Stereocenters 18 / 18
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 17,17'-(DITHIODICARBONOTHIOYL)BIS(6,9-DIFLUORO-11-HYDROXY-16-METHYL-17-(1-OXOPROPOXY)-ANDROSTA-1,4-DIEN-3-ONE

SMILES

[H][C@@]12C[C@@H](C)[C@](OC(=O)CC)(C(=S)SSC(=S)[C@@]3(OC(=O)CC)[C@H](C)C[C@@]4([H])[C@]5([H])C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@@]5(F)[C@@H](O)C[C@]34C)[C@@]1(C)C[C@H](O)[C@@]7(F)[C@@]2([H])C[C@H](F)C8=CC(=O)C=C[C@]78C

InChI

InChIKey=XXHYCMUDMQKTMR-RUXGNHTFSA-N
InChI=1S/C48H58F4O8S4/c1-9-37(57)59-47(23(3)15-27-29-19-33(49)31-17-25(53)11-13-41(31,5)45(29,51)35(55)21-43(27,47)7)39(61)63-64-40(62)48(60-38(58)10-2)24(4)16-28-30-20-34(50)32-18-26(54)12-14-42(32,6)46(30,52)36(56)22-44(28,48)8/h11-14,17-18,23-24,27-30,33-36,55-56H,9-10,15-16,19-22H2,1-8H3/t23-,24-,27+,28+,29+,30+,33+,34+,35+,36+,41+,42+,43+,44+,45+,46+,47+,48+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
17,17'-(DITHIODICARBONOTHIOYL)BIS(6,9-DIFLUORO-11-HYDROXY-16-METHYL-17-(1-OXOPROPOXY)-ANDROSTA-1,4-DIEN-3-ONE
Common Name English
ANDROSTA-1,4-DIEN-3-ONE, 17,17'-(DITHIODICARBONOTHIOYL)BIS(6,9-DIFLUORO-11-HYDROXY-16-METHYL-17-(1-OXOPROPOXY)-, (6.ALPHA.,11.BETA.,16.ALPHA.,17.ALPHA.)-(6'.ALPHA.,11'.BETA.,16'.ALPHA.,17'.ALPHA.)-
Systematic Name English
Code System Code Type Description
CAS
201812-65-9
Created by admin on Sat Dec 16 11:23:28 GMT 2023 , Edited by admin on Sat Dec 16 11:23:28 GMT 2023
PRIMARY
PUBCHEM
162623688
Created by admin on Sat Dec 16 11:23:28 GMT 2023 , Edited by admin on Sat Dec 16 11:23:28 GMT 2023
PRIMARY
FDA UNII
9RM5TT5FXU
Created by admin on Sat Dec 16 11:23:28 GMT 2023 , Edited by admin on Sat Dec 16 11:23:28 GMT 2023
PRIMARY