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Finasteride Impurity 42

CAT: 1299-RM-F141971-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-F141971-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
215669-77-5
Synonyms
(4aR,4bS,6aR,7S,9bR,11aR) -N- (tert-butyl) -4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9b,10,11,11a-dodecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide
Molecular Formula
C23H34N2O2
Molecular Weight
370.54
Target Alternative Name
Finasteride
Product Name Synonym
(4aR,4bS,6aR,7S,9bR,11aR) -N- (tert-butyl) -4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9b,10,11,11a-dodecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide

Chemical Information

(4aR,4bS,6aR,7S,9bR,11aR)-N-(tert-butyl)-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9b,10,11,11a-dodecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide
CAS Number215669-77-5
PubChem CID177836557
IUPAC Name(1S,3bR,5aR,9aR,9bS,11aR)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3b,4,5,5a,6,9b,10,11-decahydroindeno[5,4-f]quinoline-1-carboxamide
Molecular FormulaC23H34N2O2
Molecular Weight370.5
XLogP3.5
Topological Polar Surface Area58.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity731
SMILES
C[C@]12CC[C@H]3[C@H](C1=CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H]4[C@@]3(C=CC(=O)N4)C
InChI
InChI=1S/C23H34N2O2/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/h7,11,13-14,16-18H,6,8-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,16-,17+,18+,22-,23+/m0/s1
InChIKey
HECGRNUISUCSNQ-PWYMEIRPSA-N
Chemical Structure
2D Structure
2D structure of (4aR,4bS,6aR,7S,9bR,11aR)-N-(tert-butyl)-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9b,10,11,11a-dodecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide
CAS: 215669-77-5
CID: 177836557
Formula: C23H34N2O2
MW: 370.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.5
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass370.262028332
Monoisotopic Mass370.262028332
Topological Polar Surface Area58.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity731
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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