Dutasteride EP Impurity C

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CAS Number

157307-36-3

Synonyms

(4aR,4bS,6aS,7S,9aS,9bS,11aR) -2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-Tetradecahydro-4a,6a-dimethyl-2-oxo-1H-Indeno[5,4-f]quinoline-7-carboxylic Acid Ethyl Ester; Dutateride EP Impurity C; Ethyl 3-Oxo-4-aza-5α-androst-1-ene-17β-carboxylate

Molecular Formula

C21H31NO3

Molecular Weight

345.48

API Name

Dutasteride

Chemical Information

Dutasteride EP Impurity C

CAS Number	157307-36-3
PubChem CID	131699180
IUPAC Name	ethyl (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylate
Molecular Formula	C21H31NO3
Molecular Weight	345.5
XLogP	3
Topological Polar Surface Area	55.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	25
Formal Charge	0
Complexity	614

SMILES

CCOC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C=CC(=O)N4)C)C

InChI

InChI=1S/C21H31NO3/c1-4-25-19(24)16-7-6-14-13-5-8-17-21(3,12-10-18(23)22-17)15(13)9-11-20(14,16)2/h10,12-17H,4-9,11H2,1-3H3,(H,22,23)/t13-,14-,15-,16+,17+,20-,21+/m0/s1

InChIKey

AHSRUURQZYMTKR-ICVGDBTHSA-N

Chemical Structure

2D Structure

CAS: 157307-36-3

CID: 131699180

Formula: C21H31NO3

MW: 345.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	345.5
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	345.23039385
Monoisotopic Mass	345.23039385
Topological Polar Surface Area	55.4 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	614
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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AR-D04348-01	Dutasteride EP Impurity E
AR-D00998-01	Dutasteride EP Impurity B
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AR-Q02156-01	Dutasteride Ester Impurity (Finasteride EP Impurity B)
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AR-D02558-01	Dutasteride EP Impurity H (alfa-Dimer)

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Dutasteride EP Impurity C

Chemical Information

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