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Substance Name: HS 626
RN: 73033-88-2
InChIKey: FVCWXCOTQNRSPA-YXYZTQSRSA-L

Molecular Formula

  • C27-H48-N2-O.2I

Molecular Weight

  • 670.4892
 
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Names and Synonyms

Name of Substance

  • HS 626

Synonym

  • HS-626

Systematic Name

  • Naphtho(2,1-f)quinolinium, 1,2,3,4,4a,4b,5,7,8,9,10,10a,10b,11,12,12a-hexadecahydro-1-(2-hydroxyethyl)-1,10a,12a-trimethyl-8-(1-methylpyrrolidinio)-, diodide, (4aS,4bR,8S,10aR,10bS,12aS)-(partial)-

Registry Numbers

CAS Registry Number

  • 73033-88-2

System Generated Number

  • 0073033882

Molecular Formulas

Molecular Formula

  • C27-H48-N2-O.2I

Molecular Formula Fragments

  • C27-H48-N2-O
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C27H48N2O.2HI/c1-26-13-11-22(28(3)15-5-6-16-28)20-21(26)9-10-23-24(26)12-14-27(2)25(23)8-7-17-29(27,4)18-19-30;;/h9,22-25,30H,5-8,10-20H2,1-4H3;2*1H/q+2;;/p-2/t22-,23+,24-,25-,26-,27-,29?;;/m0../s1

InChIKey

FVCWXCOTQNRSPA-YXYZTQSRSA-L

Smiles

[I-].[I-].C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CCC[N+]4(C)CCO)[N+]5(C)CCCC5