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Dextromethorphan Impurity 25

CAT: 1299-RM-D242040-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-D242040-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2013542-48-6
Synonyms
(6aS) -10-methoxy-2,3,3a,3a1,4,5,6,6a,7,11b-decahydro-1H-dibenzo[de, g]quinoline
Molecular Formula
C17H23NO
Molecular Weight
257.38
Target Alternative Name
Dextromethorphan
Product Name Synonym
(6aS) -10-methoxy-2,3,3a,3a1,4,5,6,6a,7,11b-decahydro-1H-dibenzo[de, g]quinoline

Chemical Information

Dextromethorphan Impurity 25
CAS Number2013542-48-6
PubChem CID177835153
IUPAC Name(9S)-4-methoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5-triene
Molecular FormulaC17H23NO
Molecular Weight257.37
XLogP3.7
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity331
SMILES
COC1=CC2=C(C[C@H]3C4C2CCCC4CCN3)C=C1
InChI
InChI=1S/C17H23NO/c1-19-13-6-5-12-9-16-17-11(7-8-18-16)3-2-4-14(17)15(12)10-13/h5-6,10-11,14,16-18H,2-4,7-9H2,1H3/t11?,14?,16-,17?/m0/s1
InChIKey
XOIPHDDTROFJNX-RIXZDYNHSA-N
Chemical Structure
2D Structure
2D structure of Dextromethorphan Impurity 25
CAS: 2013542-48-6
CID: 177835153
Formula: C17H23NO
MW: 257.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight257.37
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass257.177964357
Monoisotopic Mass257.177964357
Topological Polar Surface Area21.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity331
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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