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Substance Name: Indole, 3-(3-methylamino-2-butyl)-5-methylthio-, bicarbonate
RN: 5490-56-2
InChIKey: OBNSUVORZAKKER-UHFFFAOYSA-N

Molecular Formula

  • C14-H20-N2-S.C-H2-O3

Molecular Weight

  • 310.416
 
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Names and Synonyms

Synonym

  • 3-(2'-Methylaminobutyl-3')-5-methylthioindole bicarbonate

Systematic Name

  • Indole, 3-(3-methylamino-2-butyl)-5-methylthio-, bicarbonate

Registry Numbers

CAS Registry Number

  • 5490-56-2

System Generated Number

  • 0005490562

Molecular Formulas

Molecular Formula

  • C14-H20-N2-S.C-H2-O3

Molecular Formula Fragments

  • C-H2-O3
  • C14-H20-N2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C14H20N2S.CH2O3/c1-9(10(2)15-3)13-8-16-14-6-5-11(17-4)7-12(13)14;2-1(3)4/h5-10,15-16H,1-4H3;(H2,2,3,4)

InChIKey

OBNSUVORZAKKER-UHFFFAOYSA-N

Smiles

c12c([C@@H]([C@@H]([NH2+]C)C)C)c[nH]c1ccc(c2)SC.C(O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 79mg/kg (79mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12436,