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1087-69-0 molecular structure
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(1S,9S,10S)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene hydrochloride

ChemBase ID: 175598
Molecular Formular: C17H24ClNO
Molecular Mass: 293.83156
Monoisotopic Mass: 293.15464207
SMILES and InChIs

SMILES:
c1(cc2c(cc1)C[C@H]1[C@@H]3[C@]2(CCCC3)CCN1)OC.Cl
Canonical SMILES:
COc1ccc2c(c1)[C@@]13CCCC[C@@H]3[C@H](C2)NCC1.Cl
InChI:
InChI=1S/C17H23NO.ClH/c1-19-13-6-5-12-10-16-14-4-2-3-7-17(14,8-9-18-16)15(12)11-13;/h5-6,11,14,16,18H,2-4,7-10H2,1H3;1H/t14-,16+,17+;/m1./s1
InChIKey:
IBNAJETZECTKHN-YPYJQMNVSA-N

Cite this record

CBID:175598 http://www.chembase.cn/molecule-175598.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1S,9S,10S)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene hydrochloride
IUPAC Traditional name
(1S,9S,10S)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene hydrochloride
Synonyms
(9α,13α,14α)-3-Methoxymorphinan Hydrochloride
(+)-3-Methoxymorphinan Hydrochloride
Nordextromethorphan Hydrochloride
N-Nordextromethorphan Hydrochloride
CAS Number
1087-69-0
PubChem SID
164231508
PubChem CID
71751178

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC N672500 external link Add to cart
PubChem 71751178 external link
Data Source Data ID Price
TRC
N672500 external link Add to cart Please log in.
Data Source Data ID
PubChem 71751178 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.11707455  LogD (pH = 7.4) 0.42981237 
Log P 3.1107264  Molar Refractivity 77.2685 cm3
Polarizability 30.460522 Å3 Polar Surface Area 21.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Methanol expand Show data source
Apperance
White Solid expand Show data source
Melting Point
247-249°C expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - N672500 external link
A metabolite of Dextromethorphan (D299455).

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Karler, R., et al.: Brain Res., 582, 143 (1992)
  • • Klein, M., et al.: J. Pharmacol. Exp. Ther., 260, 990 (1992)
  • • Gorski, J., et al.: Biochem. Pharmacol., 48, 173 (1992)
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PATENTS

PATENTS

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INTERNET

INTERNET

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