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

Details

Stereochemistry ABSOLUTE
Molecular Formula C31H41NO4
Molecular Weight 491.6615
Optical Activity ( + )
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,5-Dihydro-5α-hydroxy-Mifepristone 3-ethylene Ketal

SMILES

[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](C3=CC=C(C=C3)N(C)C)C4=C5CCC6(C[C@]5(O)CC[C@@]24[H])OCCO6

InChI

InChIKey=RIJGHAHZKTWZNK-NJPSTFMDSA-N
InChI=1S/C31H41NO4/c1-5-13-30(34)15-11-25-23-10-14-29(33)20-31(35-17-18-36-31)16-12-26(29)27(23)24(19-28(25,30)2)21-6-8-22(9-7-21)32(3)4/h6-9,23-25,33-34H,10-12,14-20H2,1-4H3/t23-,24+,25-,28-,29+,30-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
4,5-Dihydro-5α-hydroxy-Mifepristone 3-ethylene Ketal
Common Name English
Estr-9-en-3-one, 11-[4-(dimethylamino)phenyl]-5,17-dihydroxy-17-(1-propyn-1-yl)-, cyclic 1,2-ethanediyl acetal, (5α,11β,17β)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID101103565
Created by admin on Sat Dec 16 18:15:14 GMT 2023 , Edited by admin on Sat Dec 16 18:15:14 GMT 2023
PRIMARY
PUBCHEM
40872452
Created by admin on Sat Dec 16 18:15:14 GMT 2023 , Edited by admin on Sat Dec 16 18:15:14 GMT 2023
PRIMARY
CAS
84371-64-2
Created by admin on Sat Dec 16 18:15:14 GMT 2023 , Edited by admin on Sat Dec 16 18:15:14 GMT 2023
PRIMARY
FDA UNII
F2K6B9N6M6
Created by admin on Sat Dec 16 18:15:14 GMT 2023 , Edited by admin on Sat Dec 16 18:15:14 GMT 2023
PRIMARY