Epristeride structure

Epristeride

(8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3-carboxylic acid

CAS: 119169-78-7
Molecular Formula C25H37NO3
Molecular Weight 399.6 g/mol
LogP 5.1
Topological Polar Surface Area 66.4 A2
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
Rotatable Bonds 3
Exact Mass 399.27734
Heavy Atoms 29
Complexity 788.0

Chemical Identifiers

CAS Number 119169-78-7
SMILES CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CC=C4C3(CCC(=C4)C(=O)O)C
InChIKey VAPSMQAHNAZRKC-PQWRYPMOSA-N

📖 Product Overview

Epristeride (CAS: 119169-78-7) is a chemical compound with molecular formula C25H37NO3 and molecular weight 399.6 g/mol. Its IUPAC systematic name is (8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3-carboxylic acid. LogP 5.1 Topological Polar Surface Area 66.4 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 3 Rotatable Bonds 3 Exact Mass 399.27734 Heavy Atoms 29 Complexity 788.0 InChI Key: VAPSMQAHNAZRKC-PQWRYPMOSA-N. SMILES: CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CC=C4C3(CCC(=C4)C(=O)O)C.

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