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Dutasteride Impurity 51

CAT: 1299-RM-D201951-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-D201951-04Size:100 mg
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CAS Number
20283-95-8
Synonyms
(4aR,4bS,6aS,7S,9aS,9bS) -7-acetyl-4a,6a-dimethyl-1,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-2H-indeno[5,4-f]quinolin-2-one
Molecular Formula
C20H29NO2
Molecular Weight
315.46
Target Alternative Name
Dutasteride
Product Name Synonym
(4aR,4bS,6aS,7S,9aS,9bS) -7-acetyl-4a,6a-dimethyl-1,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-2H-indeno[5,4-f]quinolin-2-one

Chemical Information

(4aR,4bS,6aS,7S,9aS,9bS)-7-Acetyl-1,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-4a,6a-dimethyl-2H-indeno[5,4-f]quinolin-2-one
CAS Number20283-95-8
PubChem CID71151882
IUPAC Name(1S,3aS,3bS,9aR,9bS,11aS)-1-acetyl-9a,11a-dimethyl-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
Molecular FormulaC20H29NO2
Molecular Weight315.4
XLogP3.3
Topological Polar Surface Area46.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity594
SMILES
CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(=O)N4)C)C
InChI
InChI=1S/C20H29NO2/c1-12(22)14-5-6-15-13-4-7-17-20(3,11-9-18(23)21-17)16(13)8-10-19(14,15)2/h7,13-16H,4-6,8-11H2,1-3H3,(H,21,23)/t13-,14+,15-,16-,19+,20+/m0/s1
InChIKey
DPEBCYPJDIIKKK-WOEIGVFJSA-N
Chemical Structure
2D Structure
2D structure of (4aR,4bS,6aS,7S,9aS,9bS)-7-Acetyl-1,3,4,4a,4b,5,6,6a,7,8,9,9a,9b,10-tetradecahydro-4a,6a-dimethyl-2H-indeno[5,4-f]quinolin-2-one
CAS: 20283-95-8
CID: 71151882
Formula: C20H29NO2
MW: 315.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight315.4
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass315.219829168
Monoisotopic Mass315.219829168
Topological Polar Surface Area46.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity594
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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