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

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H29F5O4S
Molecular Weight 544.574
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VILAPRISAN

SMILES

[H][C@@]12CC[C@@](O)(C(F)(F)C(F)(F)F)[C@@]1(C)C[C@]([H])(C3=CC=C(C=C3)S(C)(=O)=O)C4=C5CCC(=O)C=C5CC[C@@]24[H]

InChI

InChIKey=JUFWQQVHQFDUOD-ANRPBIDPSA-N
InChI=1S/C27H29F5O4S/c1-24-14-21(15-3-7-18(8-4-15)37(2,35)36)23-19-10-6-17(33)13-16(19)5-9-20(23)22(24)11-12-25(24,34)26(28,29)27(30,31)32/h3-4,7-8,13,20-22,34H,5-6,9-12,14H2,1-2H3/t20-,21+,22-,24-,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H29F5O4S
Molecular Weight 544.574
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:00:33 UTC 2023
Edited
by admin
on Sat Dec 16 08:00:33 UTC 2023
Record UNII
IN59K53GI9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VILAPRISAN
INN   USAN  
INN   USAN  
Official Name English
BAY-1002670
Code English
vilaprisan [INN]
Common Name English
VILAPRISAN [JAN]
Common Name English
20,20,21,21,21-Pentafluoro-17-hydroxy-11β-[4-(methanesulfonyl)phenyl]-19-nor-17α-pregna-4,9-dien-3-one
Systematic Name English
BAY1002670
Code English
19-NORPREGNA-4,9-DIEN-3-ONE, 20,20,21,21,21-PENTAFLUORO-17-HYDROXY-11-(4-(METHYLSULFONYL)PHENYL)-, (11.BETA.,17.ALPHA.)-
Common Name English
VILAPRISAN [USAN]
Common Name English
Vilaprisan [WHO-DD]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C1891
Created by admin on Sat Dec 16 08:00:33 UTC 2023 , Edited by admin on Sat Dec 16 08:00:33 UTC 2023
NCI_THESAURUS C129818
Created by admin on Sat Dec 16 08:00:33 UTC 2023 , Edited by admin on Sat Dec 16 08:00:33 UTC 2023
Code System Code Type Description
CAS
1262108-14-4
Created by admin on Sat Dec 16 08:00:33 UTC 2023 , Edited by admin on Sat Dec 16 08:00:33 UTC 2023
PRIMARY
PUBCHEM
50915138
Created by admin on Sat Dec 16 08:00:33 UTC 2023 , Edited by admin on Sat Dec 16 08:00:33 UTC 2023
PRIMARY
USAN
DE-104
Created by admin on Sat Dec 16 08:00:33 UTC 2023 , Edited by admin on Sat Dec 16 08:00:33 UTC 2023
PRIMARY
EPA CompTox
DTXSID201110777
Created by admin on Sat Dec 16 08:00:33 UTC 2023 , Edited by admin on Sat Dec 16 08:00:33 UTC 2023
PRIMARY
INN
9725
Created by admin on Sat Dec 16 08:00:33 UTC 2023 , Edited by admin on Sat Dec 16 08:00:33 UTC 2023
PRIMARY
WIKIPEDIA
Vilaprisan
Created by admin on Sat Dec 16 08:00:33 UTC 2023 , Edited by admin on Sat Dec 16 08:00:33 UTC 2023
PRIMARY
SMS_ID
100000175837
Created by admin on Sat Dec 16 08:00:33 UTC 2023 , Edited by admin on Sat Dec 16 08:00:33 UTC 2023
PRIMARY
DRUG BANK
DB11971
Created by admin on Sat Dec 16 08:00:33 UTC 2023 , Edited by admin on Sat Dec 16 08:00:33 UTC 2023
PRIMARY
FDA UNII
IN59K53GI9
Created by admin on Sat Dec 16 08:00:33 UTC 2023 , Edited by admin on Sat Dec 16 08:00:33 UTC 2023
PRIMARY
NCI_THESAURUS
C148505
Created by admin on Sat Dec 16 08:00:33 UTC 2023 , Edited by admin on Sat Dec 16 08:00:33 UTC 2023
PRIMARY
Related Record Type Details
TARGET->MODULATOR
Related Record Type Details
ACTIVE MOIETY