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Dienogest EP Impurity M

CAT: 1596-AR-D01767-01Size: 50 UnitsDry Ice: NoHazardous: No
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CAS Number
98149-13-4
Synonyms
2- ((8S,13S,14S,17R) -4-bromo-17-hydroxy-13-methyl-3-oxo-2,3,6,7,8,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) acetonitrile; (17?) -4-Bromo-17-hydroxy-3-oxo-19-norpregna-4,9-diene-21-nitrile
Molecular Formula
C20H24BrNO2
Molecular Weight
390.32
API Name
Dienogest

Chemical Information

Dienogest EP Impurity M
CAS Number98149-13-4
PubChem CID154734375
IUPAC Name2-[(8S,13S,14S,17R)-4-bromo-17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]acetonitrile
Molecular FormulaC20H24BrNO2
Molecular Weight390.3
XLogP2.7
Topological Polar Surface Area61.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity727
SMILES
C[C@]12CCC3=C4CCC(=O)C(=C4CC[C@H]3[C@@H]1CC[C@]2(CC#N)O)Br
InChI
InChI=1S/C20H24BrNO2/c1-19-8-6-13-12-4-5-17(23)18(21)15(12)3-2-14(13)16(19)7-9-20(19,24)10-11-22/h14,16,24H,2-10H2,1H3/t14-,16+,19+,20-/m1/s1
InChIKey
LSZDSBOSEMLHKY-MWHZBGGUSA-N
Chemical Structure
2D Structure
2D structure of Dienogest EP Impurity M
CAS: 98149-13-4
CID: 154734375
Formula: C20H24BrNO2
MW: 390.3
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.3
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass389.09904
Monoisotopic Mass389.09904
Topological Polar Surface Area61.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity727
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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