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Finasteride Impurity 19

CAT: 1299-RM-F141948-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-F141948-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
166896-74-8
Synonyms
(4aR,4bS,6aS,7S,9aS,9bS) -N- (tert-butyl) -4a,6a-dimethyl-2-oxo-2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide
Molecular Formula
C23H36N2O2
Molecular Weight
372.55
Target Alternative Name
Finasteride
Product Name Synonym
(4aR,4bS,6aS,7S,9aS,9bS) -N- (tert-butyl) -4a,6a-dimethyl-2-oxo-2,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide

Chemical Information

Finasteride Impurity
CAS Number166896-74-8
PubChem CID384650
IUPAC Name(1S,3aS,3bS,9aR,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
Molecular FormulaC23H36N2O2
Molecular Weight372.5
XLogP3.9
Topological Polar Surface Area58.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity691
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(=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/h9,14-17H,6-8,10-13H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,22-,23+/m0/s1
InChIKey
IHYQEUFHHYXVFL-FIIPNDBVSA-N
Chemical Structure
2D Structure
2D structure of Finasteride Impurity
CAS: 166896-74-8
CID: 384650
Formula: C23H36N2O2
MW: 372.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.5
XLogP33.9
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
Complexity691
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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