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Dextromethorphan Impurity 20

CAT: 1299-RM-D242035-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-D242035-01Size:10 mg
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CAS Number
111475-84-4
Synonyms
10-methoxy-6-methyl-2,3,3a,3a1,4,5,6,6a,7,11b-decahydro-1H-dibenzo[de, g]quinoline
Molecular Formula
C18H25NO
Molecular Weight
271.4
Target Alternative Name
Dextromethorphan
Product Name Synonym
10-methoxy-6-methyl-2,3,3a,3a1,4,5,6,6a,7,11b-decahydro-1H-dibenzo[de, g]quinoline

Chemical Information

4H-Dibenzo[de,g]quinoline, 1,2,3,3a,5,6,6a,7,11b,11c-decahydro-10-methoxy-6-methyl-
CAS Number111475-84-4
PubChem CID535619
IUPAC Name4-methoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5-triene
Molecular FormulaC18H25NO
Molecular Weight271.4
XLogP4.1
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity357
SMILES
CN1CCC2CCCC3C2C1CC4=C3C=C(C=C4)OC
InChI
InChI=1S/C18H25NO/c1-19-9-8-12-4-3-5-15-16-11-14(20-2)7-6-13(16)10-17(19)18(12)15/h6-7,11-12,15,17-18H,3-5,8-10H2,1-2H3
InChIKey
YWXATQASYPUVPP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4H-Dibenzo[de,g]quinoline, 1,2,3,3a,5,6,6a,7,11b,11c-decahydro-10-methoxy-6-methyl-
CAS: 111475-84-4
CID: 535619
Formula: C18H25NO
MW: 271.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight271.4
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass271.193614421
Monoisotopic Mass271.193614421
Topological Polar Surface Area12.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity357
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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