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Dextromethorphan Impurity 18

CAT: 1299-RM-D242032-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-D242032-04Size:100 mg
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CAS Number
113951-05-6
Synonyms
2H-10β,4aβ-Iminoethanophenanthrene, 1,3,4,9,10,10aβ-hexahydro-6-methoxy-11-methyl-, 11-oxide, dl- (6CI)
Molecular Formula
C18H25NO2
Molecular Weight
287.4
Target Alternative Name
Dextromethorphan
Product Name Synonym
2H-10β,4aβ-Iminoethanophenanthrene,1,3,4,9,10,10aβ-hexahydro-6-methoxy-11-methyl-,11-oxide, dl- (6CI)

Chemical Information

Dextromethorphan N-oxide
CAS Number113951-05-6
PubChem CID53375569
IUPAC Name(1S,9S,10S)-4-methoxy-17-methyl-17-oxido-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
Molecular FormulaC18H25NO2
Molecular Weight287.4
XLogP2.9
Topological Polar Surface Area27.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity414
SMILES
C[N+]1(CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)OC)[O-]
InChI
InChI=1S/C18H25NO2/c1-19(20)10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(21-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+,19?/m1/s1
InChIKey
ZIZQARJISFQDMO-BIMIXXMJSA-N
Chemical Structure
2D Structure
2D structure of Dextromethorphan N-oxide
CAS: 113951-05-6
CID: 53375569
Formula: C18H25NO2
MW: 287.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight287.4
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass287.188529040
Monoisotopic Mass287.188529040
Topological Polar Surface Area27.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity414
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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