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Substance Name: Alphacamphine
RN: 71373-33-6
InChIKey: HBFREXJFHWOMTN-VSWRJICPSA-N

Molecular Formula

  • C19-H23-N-O3.C17-H21-N-O4.C10-H16-O4-S.Br-H.Cl-H.Na

Molecular Weight

  • 989.412
 
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Names and Synonyms

Results Name

  • Alphacamphine

Synonym

  • Alphacamphine

Systematic Name

  • Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-ethoxy-17-methyl-, hydrochloride, (5alpha,6alpha)-, mixt. with (7(S)-(1alpha,2beta,4beta,5alpha,7beta))-9-methyl-3-oxa-9-azatricyclo(3.3.1.0(2,4))non-7-yl alpha-(hydroxymethyl)benzeneacetate hydrobromide and sodium (1S)-7,7-dimethyl-2-oxobicyclo(2.2.1)heptane-1-methane sulfonate

Registry Numbers

CAS Registry Number

  • 71373-33-6

System Generated Number

  • 0071373336

Molecular Formulas

Molecular Formula

  • C19-H23-N-O3.C17-H21-N-O4.C10-H16-O4-S.Br-H.Cl-H.Na

Molecular Formula Fragments

  • Br-H
  • C10-H16-O4-S
  • C17-H21-N-O4
  • C19-H23-N-O3
  • Cl-H
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C19H23NO3.C17H21NO4.C10H16O4S.BrH.ClH.Na/c1-3-22-15-7-4-11-10-13-12-5-6-14(21)18-19(12,8-9-20(13)2)16(11)17(15)23-18;1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;;;/h4-7,12-14,18,21H,3,8-10H2,1-2H3;2-6,11-16,19H,7-9H2,1H3;7H,3-6H2,1-2H3,(H,12,13,14);2*1H;/q;;;;;+1/t12-,13+,14-,18-,19-;11-,12-,13-,14+,15-,16+;7-,10-;;;/m011.../s1

InChIKey

HBFREXJFHWOMTN-VSWRJICPSA-N

Smiles

C1([C@]2(C([C@@H](C1)CC2)(C)C)CS(=O)(=O)O)=O.[Na+].c12O[C@H]3[C@H](C=C[C@H]4[C@@H]5[N@](CC[C@]34c1c(ccc2OCC)C5)C)O.Cl.c1(ccccc1)[C@H](C(O[C@H]1C[C@H]2[C@H]3[C@H]([C@@H](C1)N2C)O3)=O)CO.Br