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Finasteride Impurity 40

CAT: 1299-RM-F141969-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-F141969-02Size:25 mg
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CAS Number
119169-78-7
Synonyms
(8S,9S,10R,13S,14S,17S) -17- (tert-butylcarbamoyl) -10,13-dimethyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3-carboxylic acid
Molecular Formula
C25H37NO3
Molecular Weight
399.58
Target Alternative Name
Finasteride
Product Name Synonym
(8S,9S,10R,13S,14S,17S) -17- (tert-butylcarbamoyl) -10,13-dimethyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3-carboxylic acid

Chemical Information

Epristeride

Epristeride is a steroid acid.

CAS Number119169-78-7
PubChem CID68741
IUPAC Name(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
Molecular FormulaC25H37NO3
Molecular Weight399.6
XLogP5.1
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity788
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC=C4[C@@]3(CCC(=C4)C(=O)O)C
InChI
InChI=1S/C25H37NO3/c1-23(2,3)26-21(27)20-9-8-18-17-7-6-16-14-15(22(28)29)10-12-24(16,4)19(17)11-13-25(18,20)5/h6,14,17-20H,7-13H2,1-5H3,(H,26,27)(H,28,29)/t17-,18-,19-,20+,24-,25-/m0/s1
InChIKey
VAPSMQAHNAZRKC-PQWRYPMOSA-N
Chemical Structure
2D Structure
2D structure of Epristeride
CAS: 119169-78-7
CID: 68741
Formula: C25H37NO3
MW: 399.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight399.6
XLogP35.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass399.27734404
Monoisotopic Mass399.27734404
Topological Polar Surface Area66.4 Ų
Heavy Atom Count29
Formal Charge0
Complexity788
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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