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Substance Name: Nb-Propyl-10-bromoisosandwicinium hydrogen tartrate
RN: 79731-89-8
InChIKey: XXHHFLWSPHLXOA-DYZZJQSRSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H32-Br-N2-O2.C4-H5-O6

Molecular Weight

  • 597.4993
 
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Names and Synonyms

Results Name

  • Nb-Propyl-10-bromoisosandwicinium hydrogen tartrate

Synonym

  • N(sub b)-n-Propyl-10-bromoisosandwicinium hydrogen tartrate

Systematic Name

  • Ajmalanium, 10-bromo-17,21-dihydroxy-4-propyl-, (17R,20-alpha,21-beta)-, salt with (R-(R*,R*))-2,3-dihydroxybutanedioic acid (1:1)

Registry Numbers

CAS Registry Number

  • 79731-89-8

System Generated Number

  • 0079731898

Molecular Formulas

Molecular Formula

  • C23-H32-Br-N2-O2.C4-H5-O6

Molecular Formula Fragments

  • C23-H32-Br-N2-O2
  • C4-H5-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C23H32BrN2O2.C4H6O6/c1-4-8-26-17-10-14(13(5-2)22(26)28)19-18(26)11-23(21(19)27)15-9-12(24)6-7-16(15)25(3)20(17)23;5-1(3(7)8)2(6)4(9)10/h6-7,9,13-14,17-22,27-28H,4-5,8,10-11H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/q+1;/p-1/t13-,14?,17+,18+,19?,20+,21-,22+,23?,26?;1-,2-/m11/s1

InChIKey

XXHHFLWSPHLXOA-DYZZJQSRSA-M

Smiles

CCC[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.[C@@H]([C@H](C(=O)[O-])O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 70564ug/kg (70.564mg/kg)   United States Patent Document. Vol. #4552877,
mouse LD50 oral 338mg/kg (338mg/kg)   United States Patent Document. Vol. #4552877,