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16808-63-2 | 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-
CAS No: 16808-63-2 Catalog No: AG001XSQ MDL No:
Product Description
Catalog Number:
AG001XSQ
Chemical Name:
2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-
CAS Number:
16808-63-2
Molecular Formula:
C14H19NO
Molecular Weight:
217.3068
IUPAC Name:
1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
InChI:
InChI=1S/C14H19NO/c1-9-13-7-10-3-4-11(16)8-12(10)14(9,2)5-6-15-13/h3-4,8-9,13,15-16H,5-7H2,1-2H3
InChI Key:
DXESFJJJWBHLJX-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)C1(C)CCNC(C2)C1C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.147g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.312g/mol
Monoisotopic Mass:
217.147g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Synthesis and pharmacological evaluation of potent and enantioselective sigma 1, and sigma 2 ligands. | Farmaco (Societa chimica italiana : 1989) 20010301 |
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