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510-53-2 molecular structure
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(1R,9R,10R)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene hydrobromide

ChemBase ID: 119830
Molecular Formular: C18H26BrNO
Molecular Mass: 352.30914
Monoisotopic Mass: 351.11977646
SMILES and InChIs

SMILES:
[C@]123c4c(C[C@H]([C@@H]1CCCC3)N(CC2)C)ccc(c4)OC.Br
Canonical SMILES:
COc1ccc2c(c1)[C@]13CCCC[C@H]3[C@@H](C2)N(CC1)C.Br
InChI:
InChI=1S/C18H25NO.BrH/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18;/h6-7,12,15,17H,3-5,8-11H2,1-2H3;1H/t15-,17+,18+;/m0./s1
InChIKey:
MISZALMBODQYFT-FLCXFYETSA-N

Cite this record

CBID:119830 http://www.chembase.cn/molecule-119830.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1R,9R,10R)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene hydrobromide
IUPAC Traditional name
levomethorphan hydrobromide
(1R,9R,10R)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene hydrobromide
Synonyms
(4bR,8aR,9R)-3-methoxy-11-methyl-6,7,8,8a,9,10-hexahydro-5H-9,4b-(epiminoethano)phenanthrene hydrobromide
DXM
DM
Dextromethorphan Hydrobromide
CAS Number
510-53-2
PubChem SID
162108182
PubChem CID
5486607

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 5486607 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.050376788  LogD (pH = 7.4) 1.0825826 
Log P 3.4937744  Molar Refractivity 82.5632 cm3
Polarizability 32.306057 Å3 Polar Surface Area 12.47 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Pharmacology Properties Product Information Bioassay(PubChem)
Mechanism of Action
NMDA receptor antagonist expand Show data source
Salt Data
HBr expand Show data source
Application(s)
Anticonvulsant and neuroprotective props. expand Show data source
Antitussive expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Schnider, O. et al., Helv. Chim. Acta, 1950, 33, 1437; 1951, 34, 2211, (synth, resoln)
  • • Hfliger, D. et al., Helv. Chim. Acta, 1959, 39, 2053, (deriv)
  • • Corrodi, H. et al., Helv. Chim. Acta, 1959, 42, 212, (abs config)
  • • Yoshihiro, T. et al., Tet. Lett., 1975, 2853, (cmr)
  • • Gylbert, L. et al., Acta Cryst. B, 1977, 33, 2833, (deriv)
  • • Wainer, I.W. et al., J.O.C., 1982, 47, 1761, (deriv, resoln)
  • • Meyers, A.I. et al., J.O.C., 1986, 51, 872, (synth)
  • • Negwer, M., Organic-Chemical Drugs and their Synonyms, 6th edn., Akademie-Verlag, 1987, 4961, (synonyms)
  • • Tortella, F.C. et al., Trends Pharmacol. Sci., 1989, 10, 501, (pharmacol, rev)
  • • Martindale, The Extra Pharmacopoeia, 30th edn., Pharmaceutical Press, 1993, 746
  • • Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, DBE150; DBE200; DBE800; DYF000; LFG000; MKR250; MLZ000
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PATENTS

PATENTS

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INTERNET

INTERNET

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