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Vilaprisan

CAT: 0926-MAC10814-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0926-MAC10814-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1262108-14-4
MDL Number
MFCD28963978
Smiles
CN (C) C1=CN=C (C=C1) C2CCCNC2.Cl.Cl
Molecular Formula
C27H29F5O4S
Molecular Weight
544.60 g/mol
Controlled
No

Chemical Information

Vilaprisan

Vilaprisan has been used in trials studying the treatment of Leiomyoma and Clinical Trial, Phase I.

CAS Number1262108-14-4
PubChem CID50915138
IUPAC Name(8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-11-(4-methylsulfonylphenyl)-17-(1,1,2,2,2-pentafluoroethyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC27H29F5O4S
Molecular Weight544.6
XLogP4.1
Topological Polar Surface Area79.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count37
Formal Charge0
Complexity1140
SMILES
C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(C(C(F)(F)F)(F)F)O)C5=CC=C(C=C5)S(=O)(=O)C
InChI
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
InChIKey
JUFWQQVHQFDUOD-ANRPBIDPSA-N
Chemical Structure
2D Structure
2D structure of Vilaprisan
CAS: 1262108-14-4
CID: 50915138
Formula: C27H29F5O4S
MW: 544.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight544.6
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass544.17067139
Monoisotopic Mass544.17067139
Topological Polar Surface Area79.8 Ų
Heavy Atom Count37
Formal Charge0
Complexity1140
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5784536Vilaprisan
CS-T-103587Vilaprisan-D4

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