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Substance Name: Pyrrobutamine naphthalene disulfonate
RN: 93777-57-2
UNII: 144X0H6HW6
InChIKey: OCOQSLMGOIWOJJ-UHFFFAOYSA-N

Molecular Formula

  • C20-H22-Cl-N.1/2C10-H8-O6-S2

Molecular Weight

  • 912.0068
 
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Names and Synonyms

Name of Substance

  • Pyrrobutamine naphthalene disulfonate

Synonyms

  • EINECS 298-089-6
  • UNII-144X0H6HW6

Systematic Name

  • Naphthalene-1,5-disulphonic acid, compound with 1-(4-(4-chlorophenyl)-3-phenylbut-2-enyl)pyrrolidine (1:2)

Registry Numbers

CAS Registry Number

  • 93777-57-2

FDA UNII

  • 144X0H6HW6

System Generated Number

  • 0093777572

Molecular Formulas

Molecular Formula

  • C20-H22-Cl-N.1/2C10-H8-O6-S2

Molecular Formula Fragments

  • C10-H8-O6-S2
  • C20-H22-Cl-N
  • COMPONENT

Structure Descriptors

InChI

1S/2C20H22ClN.C10H8O6S2/c2*21-20-10-8-17(9-11-20)16-19(18-6-2-1-3-7-18)12-15-22-13-4-5-14-22;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h2*1-3,6-12H,4-5,13-16H2;1-6H,(H,11,12,13)(H,14,15,16)

InChIKey

OCOQSLMGOIWOJJ-UHFFFAOYSA-N

Smiles

OS(=O)(=O)c1cccc2c(cccc12)S(=O)(=O)O.Clc3ccc(CC(=CCN4CCCC4)c5ccccc5)cc3.Clc6ccc(CC(=CCN7CCCC7)c8ccccc8)cc6