1-(4-Methoxyphenyl)-3-azabicyclo[3.1.0]hexane Hydrochloride - CAS 77062-79-4
Catalog: |
BB076038 |
Product Name: |
1-(4-Methoxyphenyl)-3-azabicyclo[3.1.0]hexane Hydrochloride |
CAS: |
77062-79-4 |
Synonyms: |
(±)-1-(4-Methoxyphenyl)-3-azabicyclo[3.1.0]hexane Hydrochloride |
IUPAC Name: | 1-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexanehydrochloride |
Description: | 1-(4-Methoxyphenyl)-3-azabicyclo[3.1.0]hexane Hydrochloride is a nonnarcotic analgesic agent. |
Molecular Weight: | 225.71 |
Molecular Formula: | C12H16ClNO |
Canonical SMILES: | COC1=CC=C(C=C1)C23CC2CNC3.Cl |
InChI: | InChI=1S/C12H15NO.ClH/c1-14-11-4-2-9(3-5-11)12-6-10(12)7-13-8-12/h2-5,10,13H,6-8H2,1H31H |
InChI Key: | ABVYPYDYEOHUEJ-UHFFFAOYSA-N |
References: | Epstein, J., et al. J. Med. Chem., 24, 481 (1981). |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.0920418 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.0920418 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 21.3Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
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