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Finasteride Impurity 19

CAT: 1596-AR-F10032-06Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-F10032-06Size:250 Units
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CAS Number
131267-80-6
Molecular Formula
C24H37NO2
Molecular Weight
371.57
API Name
Finasteride

Chemical Information

(8S,9S,10R,13S,14S,17S)-N-tert-butyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide
CAS Number131267-80-6
PubChem CID475445
IUPAC Name(8S,9S,10R,13S,14S,17S)-N-tert-butyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide
Molecular FormulaC24H37NO2
Molecular Weight371.6
XLogP4.4
Topological Polar Surface Area46.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity687
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CCC4=CC(=O)CC[C@]34C
InChI
InChI=1S/C24H37NO2/c1-22(2,3)25-21(27)20-9-8-18-17-7-6-15-14-16(26)10-12-23(15,4)19(17)11-13-24(18,20)5/h14,17-20H,6-13H2,1-5H3,(H,25,27)/t17-,18-,19-,20+,23-,24-/m0/s1
InChIKey
ROEIROHDVYUAGF-ZEQQQVMLSA-N
Chemical Structure
2D Structure
2D structure of (8S,9S,10R,13S,14S,17S)-N-tert-butyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide
CAS: 131267-80-6
CID: 475445
Formula: C24H37NO2
MW: 371.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight371.6
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass371.282429423
Monoisotopic Mass371.282429423
Topological Polar Surface Area46.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity687
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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