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

Details

Stereochemistry ABSOLUTE
Molecular Formula C29H35NO3
Molecular Weight 445.5931
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HYDROXYMIFEPRISTONE, (6.BETA.)-

SMILES

[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](C3=CC=C(C=C3)N(C)C)C4=C5CCC(=O)C=C5[C@H](O)C[C@@]24[H]

InChI

InChIKey=CCEVGSZUALHLBR-SPXXJPMQSA-N
InChI=1S/C29H35NO3/c1-5-13-29(33)14-12-25-23-16-26(32)22-15-20(31)10-11-21(22)27(23)24(17-28(25,29)2)18-6-8-19(9-7-18)30(3)4/h6-9,15,23-26,32-33H,10-12,14,16-17H2,1-4H3/t23-,24+,25-,26+,28-,29-/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H35NO3
Molecular Weight 445.5931
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:11:37 GMT 2023
Edited
by admin
on Sat Dec 16 09:11:37 GMT 2023
Record UNII
PA82S4T4RT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HYDROXYMIFEPRISTONE, (6.BETA.)-
Common Name English
ESTRA-4,9-DIEN-3-ONE, 11-(4-(DIMETHYLAMINO)PHENYL)-6,17-DIHYDROXY-17-(1-PROPYNYL)-, (6.BETA.,11.BETA.,17.BETA.)-
Systematic Name English
HYDROXYMIFEPRISTONE, (6R)-
Common Name English
6.BETA.-HYDROXYMIFEPRISTONE
Common Name English
Code System Code Type Description
PUBCHEM
10718211
Created by admin on Sat Dec 16 09:11:37 GMT 2023 , Edited by admin on Sat Dec 16 09:11:37 GMT 2023
PRIMARY
CAS
347361-44-8
Created by admin on Sat Dec 16 09:11:37 GMT 2023 , Edited by admin on Sat Dec 16 09:11:37 GMT 2023
PRIMARY
FDA UNII
PA82S4T4RT
Created by admin on Sat Dec 16 09:11:37 GMT 2023 , Edited by admin on Sat Dec 16 09:11:37 GMT 2023
PRIMARY