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Dextromethorphan EP Impurity C

CAT: 1596-AR-D06036-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-D06036-02Size:25 Units
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CAS Number
57969-05-8
Synonyms
Ent-3-Methoxy-17-methylmorphinan-10-one, 10-Keto Dextromethorphan
Molecular Formula
C18H23NO2
Molecular Weight
285.38
API Name
Dextromethorphan

Chemical Information

ent-3-Methoxy-17-methylmorphinan-10-one
CAS Number57969-05-8
PubChem CID21780010
IUPAC Name(1S,9R,10S)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-8-one
Molecular FormulaC18H23NO2
Molecular Weight285.4
XLogP3.8
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity437
SMILES
CN1CC[C@@]23CCCC[C@@H]2[C@@H]1C(=O)C4=C3C=C(C=C4)OC
InChI
InChI=1S/C18H23NO2/c1-19-10-9-18-8-4-3-5-14(18)16(19)17(20)13-7-6-12(21-2)11-15(13)18/h6-7,11,14,16H,3-5,8-10H2,1-2H3/t14-,16-,18+/m1/s1
InChIKey
UOCRGKKCNCIQCZ-KYJSFNMBSA-N
Chemical Structure
2D Structure
2D structure of ent-3-Methoxy-17-methylmorphinan-10-one
CAS: 57969-05-8
CID: 21780010
Formula: C18H23NO2
MW: 285.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight285.4
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass285.172878976
Monoisotopic Mass285.172878976
Topological Polar Surface Area29.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity437
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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