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Dextromethorphan Impurity 21

CAT: 1299-RM-D242036-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-D242036-02Size:25 mg
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CAS Number
120442-81-1
Synonyms
(4bS,8aS,9R,10R) -3-methoxy-11-methyl-6,7,8,8a,9,10-hexahydro-5H-9,4b- (epiminoethano) phenanthren-10-ol
Molecular Formula
C18H25NO2
Molecular Weight
287.4
Target Alternative Name
Dextromethorphan
Product Name Synonym
(4bS,8aS,9R,10R) -3-methoxy-11-methyl-6,7,8,8a,9,10-hexahydro-5H-9,4b- (epiminoethano) phenanthren-10-ol

Chemical Information

Dextromethorphan-10-ol
CAS Number120442-81-1
PubChem CID155923035
IUPAC Name(1S,8R,9R,10S)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-8-ol
Molecular FormulaC18H25NO2
Molecular Weight287.4
XLogP2.3
Topological Polar Surface Area32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity401
SMILES
CN1CC[C@@]23CCCC[C@@H]2[C@@H]1[C@@H](C4=C3C=C(C=C4)OC)O
InChI
InChI=1S/C18H25NO2/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/h6-7,11,14,16-17,20H,3-5,8-10H2,1-2H3/t14-,16-,17-,18+/m1/s1
InChIKey
VHADEHXKPTVSKZ-DDBAPUKQSA-N
Chemical Structure
2D Structure
2D structure of Dextromethorphan-10-ol
CAS: 120442-81-1
CID: 155923035
Formula: C18H25NO2
MW: 287.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight287.4
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass287.188529040
Monoisotopic Mass287.188529040
Topological Polar Surface Area32.7 Ų
Heavy Atom Count21
Formal Charge0
Complexity401
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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