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Finasteride Impurity 20

CAT: 1596-AR-F10033-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-F10033-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
190006-01-0
Molecular Formula
C23H37NO4
Molecular Weight
391.55
API Name
Finasteride

Chemical Information

(3S,3aS,5aS,6R,9aS,9bS)-3-[[(1,1-Dimethylethyl)amino]carbonyl]dodecahydro-3a,6-dimethyl-7-oxo-1H-benz[e]indene-6-propanoic Acid
CAS Number190006-01-0
PubChem CID15819007
IUPAC Name3-[(3S,3aS,5aS,6R,9aS,9bS)-3-(tert-butylcarbamoyl)-3a,6-dimethyl-7-oxo-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid
Molecular FormulaC23H37NO4
Molecular Weight391.5
XLogP3.5
Topological Polar Surface Area83.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity666
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CCC(=O)[C@]3(C)CCC(=O)O
InChI
InChI=1S/C23H37NO4/c1-21(2,3)24-20(28)17-8-7-15-14-6-9-18(25)23(5,13-11-19(26)27)16(14)10-12-22(15,17)4/h14-17H,6-13H2,1-5H3,(H,24,28)(H,26,27)/t14-,15-,16-,17+,22-,23+/m0/s1
InChIKey
VNAXIILVANELQH-FIIPNDBVSA-N
Chemical Structure
2D Structure
2D structure of (3S,3aS,5aS,6R,9aS,9bS)-3-[[(1,1-Dimethylethyl)amino]carbonyl]dodecahydro-3a,6-dimethyl-7-oxo-1H-benz[e]indene-6-propanoic Acid
CAS: 190006-01-0
CID: 15819007
Formula: C23H37NO4
MW: 391.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.5
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass391.27225866
Monoisotopic Mass391.27225866
Topological Polar Surface Area83.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity666
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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