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Substance Name: Egyt 3615
RN: 107634-87-7
InChIKey: SHXJBCWOVPAZQL-UHFFFAOYSA-M

Molecular Formula

  • C17-H19-Cl-N3-O.C2-H5-O3-S

Molecular Weight

  • 419.887
 
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Names and Synonyms

Name of Substance

  • Egyt 3615

Synonyms

  • 1-(4-Chlorophenyl)-1,2,7a,8,9,10,11,11a-octahydro-1-hydroxy-(1,2,4)triazino(6,1-a)isoquinolin-5-ium
  • Egyt-3615

Systematic Name

  • (1,2,4)Triazino(6,1-a)isoquinolin-5-ium, 1-(4-chlorophenyl)-1,2,7a,8,9,10,11,11a-octahydro-1-hydroxy-, ethanesulfonate (salt)

Registry Numbers

CAS Registry Number

  • 107634-87-7

System Generated Number

  • 0107634877

Molecular Formulas

Molecular Formula

  • C17-H19-Cl-N3-O.C2-H5-O3-S

Molecular Formula Fragments

  • C17-H19-Cl-N3-O
  • C2-H5-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C17H13ClN3O.C2H6O3S/c18-14-7-5-13(6-8-14)17(22)16-15-4-2-1-3-12(15)9-10-21(16)20-11-19-17;1-2-6(3,4)5/h1-11,22H,(H,19,20);2H2,1H3,(H,3,4,5)/q+1;/p-1

InChIKey

SHXJBCWOVPAZQL-UHFFFAOYSA-M

Smiles

C(C)S(=O)(=O)[O-].c1[n+]2c(c3ccccc3c1)[C@@](N=CN2)(c1ccc(cc1)Cl)O