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125-70-2 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

ChemBase ID: 172287
Molecular Formular: C18H25NO
Molecular Mass: 271.3972
Monoisotopic Mass: 271.19361443
SMILES and InChIs

SMILES:
c1(cc2c(cc1)C[C@@H]1[C@H]3[C@@]2(CCCC3)CCN1C)OC
Canonical SMILES:
COc1ccc2c(c1)[C@]13CCCC[C@H]3[C@@H](C2)N(CC1)C
InChI:
InChI=1S/C18H25NO/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/t15-,17+,18+/m0/s1
InChIKey:
MKXZASYAUGDDCJ-CGTJXYLNSA-N

Cite this record

CBID:172287 http://www.chembase.cn/molecule-172287.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
IUPAC Traditional name
levomethorphan
Synonyms
3-Methoxy-17-methylmorphinan
1,3,4,9,10,10a-Hexahydro-6-methoxy-11-methyl-2H-10,4a-iminoethanophenanthrene
(-)-3-Methoxy-N-methylmorphinan
3-Methoxy-N-methylmorphinan
Methorphan
l-Methorphan
Levomethorphan
CAS Number
125-70-2
PubChem SID
164228197
PubChem CID
5362449

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC L375850 external link Add to cart
PubChem 5362449 external link
Data Source Data ID Price
TRC
L375850 external link Add to cart Please log in.
Data Source Data ID
PubChem 5362449 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

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Ethanol expand Show data source
Methanol expand Show data source
Apperance
Off-White Solid expand Show data source
Melting Point
106-108°C expand Show data source
Storage Condition
Controlled Substance, -20°C Freezer expand Show data source
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - L375850 external link
The enatiomer of Dextromethorphan (D299455), an antitussive medicine, a narcotic. Controlled substance.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Hafliger, et al.: Helv. Chim. Acta, 39, 2053 (1956)
  • • Cox, B.M., et al.: Br. J. Pharmacol. Chemother., 27, 81 (1956)
  • • Hou, Chia-Hui; Tzeng, J., et al.: Eur. J. Pharmacol., 544, 10 (1956)
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PATENTS

PATENTS

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INTERNET

INTERNET

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