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Substance Name: Ajmalanium, 10-bromo-17,21-dihydroxy-4-hexyl-, (17R,21-alpha)-, salt with (R-(R*,R*))-2,3-dihydroxybutanedioic acid (1:1)
RN: 79731-93-4
InChIKey: MISUFRGPLRUQEE-USBSQPODSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H38-Br-N2-O2.C4-H5-O6

Molecular Weight

  • 490.5022
 
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Names and Synonyms

Synonym

  • N(sub b)-n-Hexyl-10-bromosandwicinium hydrogen tartrate

Systematic Name

  • Ajmalanium, 10-bromo-17,21-dihydroxy-4-hexyl-, (17R,21-alpha)-, salt with (R-(R*,R*))-2,3-dihydroxybutanedioic acid (1:1)

Registry Numbers

CAS Registry Number

  • 79731-93-4

System Generated Number

  • 0079731934

Molecular Formulas

Molecular Formula

  • C26-H38-Br-N2-O2.C4-H5-O6

Molecular Formula Fragments

  • C26-H38-Br-N2-O2
  • C4-H5-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C26H38BrN2O2/c1-4-6-7-8-11-29-20-13-17(16(5-2)25(29)31)22-21(29)14-26(24(22)30)18-12-15(27)9-10-19(18)28(3)23(20)26/h9-10,12,16-17,20-25,30-31H,4-8,11,13-14H2,1-3H3/q+1/t16-,17?,20+,21+,22?,23+,24-,25+,26?,29?/m1/s1

InChIKey

MISUFRGPLRUQEE-USBSQPODSA-N

Smiles

CCCCCC[N+]12[C@H]3CC([C@H]([C@@H]1O)CC)C4[C@@H]2CC5([C@H]3N(c6c5cc(cc6)Br)C)[C@@H]4O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 71680ug/kg (71.68mg/kg)   United States Patent Document. Vol. #4552877,
mouse LD50 oral > 1472mg/kg (1472mg/kg)   United States Patent Document. Vol. #4552877,