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5-beta-Finasteride

CAT: 1596-AR-F01441-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-F01441-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
140375-22-0
Synonyms
(4aR,4bS,6aS,7S,9aS,9bS,11aS) -N- (tert-butyl) -4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide
Molecular Formula
C23H36N2O2
Molecular Weight
372.55
API Name
Finasteride

Chemical Information

5beta-Finasteride
CAS Number140375-22-0
PubChem CID69784059
IUPAC Name(1S,3aS,3bS,5aS,9aR,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
Molecular FormulaC23H36N2O2
Molecular Weight372.5
XLogP3
Topological Polar Surface Area58.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity678
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@H]4[C@@]3(C=CC(=O)N4)C
InChI
InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18-,22-,23+/m0/s1
InChIKey
DBEPLOCGEIEOCV-VLDRPNAOSA-N
Chemical Structure
2D Structure
2D structure of 5beta-Finasteride
CAS: 140375-22-0
CID: 69784059
Formula: C23H36N2O2
MW: 372.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.5
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass372.277678395
Monoisotopic Mass372.277678395
Topological Polar Surface Area58.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity678
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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