2,6-Methano-3-benzazocin-11-ol,1,2,3,4,5,6-hexahydro-3,6-dimethyl-, acetate (ester), hydrobromide, (2a,6a,11S*)- (9CI)

: Iupac Name：[(1S,9S,13S)-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-yl] acetate;hydrobromide; CAS No.: 63869-53-4; Molecular Weight：340.25538; Modify Date.: 2022-11-06 02:18

1. Names and Identifiers

: 1.1 Name; 2,6-Methano-3-benzazocin-11-ol,1,2,3,4,5,6-hexahydro-3,6-dimethyl-, acetate (ester), hydrobromide, (2a,6a,11S*)- (9CI); 1.2 Synonyms; 2,6-Methano-3-benzazocin-11-beta-ol, 1,2,3,4,5,6-hexahydro-3,6-dimethyl-, acetate (ester), hydrobromide 2,6-Methano-3-benzazocine, 1,2,3,4,5,6-hexahydro-11-beta-acetoxy-3,6-dimethyl-, HBr AC1MIM28 alpha-9-Acetoxy-5-methyl-2(N)-methyl-6,7-benzomorphan hydrobromide DTXSID80213358

1.6 Inchi: InChI=1S/C16H21NO2.BrH/c1-11(18)19-15-14-10-12-6-4-5-7-13(12)16(15,2)8-9-17(14)3;/h4-7,14-15H,8-10H2,1-3H3;1H/t14-,15+,16-;/m0./s1

2. Properties

3. MSDS

no data available

no data available

4. Computational chemical data

Molecular Weight: 340.25538g/mol
Molecular Formula: C₁₆H₂₂BrNO₂
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 339.08339
Monoisotopic Mass: 339.08339
Complexity: 370
Rotatable Bond Count: 2
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 3
Topological Polar Surface Area: 29.5
Heavy Atom Count: 20
Defined Atom Stereocenter Count: 3
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 2
CACTVS Substructure Key Fingerprint: AAADceB6MAAAEAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAWAADBAAAAHgAAAAAADjzhmAYyCIMABACIAiDSCAACAAAgAAAIiAAIAIgKICKAkRGHIAAkwAGYiAewwPAPgAAAAAAQAABQAAaAADAgAAAAAAAAAA==

6. Realated Product Infomation

82597-89-5 2,6-Methano-3-benzazocin-8-ol,1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(phenylmethyl)-, hydrobromide,(2R,6R,11R)-rel- (9CI)

26918-40-1 (2alpha,6alpha,11R*)-3-benzyl-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol hydrobromide

22185-52-0 3-Benzyl-1,2,3,4,5,6-Hexahydro-6,11-Dimethyl-2,6-Methano-3-Benzazocin-8-Ol

63903-61-7 (2alpha,6alpha,11R*)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol

7346-09-0 2,6-Methano-3-benzazocin-8-ol,3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-,(2R,6R,11R)-rel-

81375-51-1 1,5-Imino-3-benzazocine,1,2,3,4,5,6-hexahydro-3-methyl-(9CI)

57236-85-8 (2R,6R)-6,11-dimethyl-3-[(2R)-tetrahydrofuran-2-ylmethyl]-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol

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