Dihydro Dutasteride

CAT: 1596-AR-Q03170-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-Q03170-02Size:25 Units

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CAS Number

164656-22-8

Synonyms

(4aR,4bS,6aS,7S,9aS,9bS,11aR) -N-[2,5-Bis (trifluoromethyl) phenyl]hexadecahydro-4a,6a-dimethyl-2-oxo-1H-Indeno[5,4-f]quinoline-7-carboxamide; (5?,17?) -N-[2,5-Bis (trifluoromethyl) phenyl]-3-oxo-4-azaandrostane-17-carboxamide; Dihydrodutasteride

Molecular Formula

C27H32F6N2O2

Molecular Weight

530.55

API Name

Dutasteride

Chemical Information

1,2-Dihydrodutasteride

CAS Number	164656-22-8
PubChem CID	15871205
IUPAC Name	(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-[2,5-bis(trifluoromethyl)phenyl]-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide
Molecular Formula	C27H32F6N2O2
Molecular Weight	530.5
XLogP	6.4
Topological Polar Surface Area	58.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Heavy Atom Count	37
Formal Charge	0
Complexity	922

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC4=C(C=CC(=C4)C(F)(F)F)C(F)(F)F)CC[C@@H]5[C@@]3(CCC(=O)N5)C

InChI

InChI=1S/C27H32F6N2O2/c1-24-11-9-17-15(4-8-21-25(17,2)12-10-22(36)35-21)16(24)6-7-19(24)23(37)34-20-13-14(26(28,29)30)3-5-18(20)27(31,32)33/h3,5,13,15-17,19,21H,4,6-12H2,1-2H3,(H,34,37)(H,35,36)/t15-,16-,17-,19+,21+,24-,25+/m0/s1

InChIKey

AIUHDIPAGREENV-QWBYCMEYSA-N

Chemical Structure

2D Structure

CAS: 164656-22-8

CID: 15871205

Formula: C27H32F6N2O2

MW: 530.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	530.5
XLogP3	6.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Exact Mass	530.23679724
Monoisotopic Mass	530.23679724
Topological Polar Surface Area	58.2 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	922
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-D07877-01	Dutasteride-d3
AR-D02553-01	Dutasteride-13C6
AR-D04362-01	5ß-Dutasteride
AR-D02562-01	Dutasteride Impurity
AR-D07889-01	6β-Hydroxy Dutasteride
AR-D02566-01	Dutasteride Impurity B
AR-D02571-01	Dutasteride Impurity M

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T11040-01	Dihydro Dutasteride
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TRC-D685725-25MG	Dihydro Dutasteride alpha-Dimer
206219	Dutasteride

Dihydro Dutasteride

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