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Dutasteride Impurity L

CAT: 1596-AR-D02570-04Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-D02570-04Size:100 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1365545-48-7
Synonyms
(4bS,6aS,7S,9aS,9bS) -N- (2,5-bis (trifluoromethyl) phenyl) -6a-methyl-2-oxo-2,4b,5,6,6a,7,8,9,9a,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide
Molecular Formula
C26H26F6N2O2
Molecular Weight
512.5
API Name
Dutasteride

Chemical Information

(1S,3aS,3bS,9bS,11aS)-N-[2,5-bis(trifluoromethyl)phenyl]-11a-methyl-7-oxo-2,3,3a,3b,4,5,6,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
CAS Number1365545-48-7
PubChem CID165366367
IUPAC Name(1S,3aS,3bS,9bS,11aS)-N-[2,5-bis(trifluoromethyl)phenyl]-11a-methyl-7-oxo-2,3,3a,3b,4,5,6,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
Molecular FormulaC26H26F6N2O2
Molecular Weight512.5
XLogP5.5
Topological Polar Surface Area58.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count36
Formal Charge0
Complexity986
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)CCC5=C3C=CC(=O)N5
InChI
InChI=1S/C26H26F6N2O2/c1-24-11-10-14-15(3-8-20-16(14)4-9-22(35)33-20)17(24)6-7-19(24)23(36)34-21-12-13(25(27,28)29)2-5-18(21)26(30,31)32/h2,4-5,9,12,14-15,17,19H,3,6-8,10-11H2,1H3,(H,33,35)(H,34,36)/t14-,15+,17-,19+,24-/m0/s1
InChIKey
CTNHFYMGIWYKRI-HUFDCIJMSA-N
Chemical Structure
2D Structure
2D structure of (1S,3aS,3bS,9bS,11aS)-N-[2,5-bis(trifluoromethyl)phenyl]-11a-methyl-7-oxo-2,3,3a,3b,4,5,6,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
CAS: 1365545-48-7
CID: 165366367
Formula: C26H26F6N2O2
MW: 512.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight512.5
XLogP35.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass512.18984705
Monoisotopic Mass512.18984705
Topological Polar Surface Area58.2 Ų
Heavy Atom Count36
Formal Charge0
Complexity986
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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