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Substance Name: Ajmalanium, 10-bromo-17,21-dihydroxy-4-methyl-, (17R,21-alpha)-, salt with (R-(R*,R*))-2,3-dihydroxybutanedioic acid (1:1)
RN: 79731-83-2
InChIKey: MTZQQYFKLKGKRO-ORCZJCDPSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H28-Br-N2-O2.C4-H5-O6

Molecular Weight

  • 569.4457
 
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Names and Synonyms

Synonym

  • N(sub b)-Methyl-10-bromosandwicinium hydrogen tartrate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 79731-83-2

System Generated Number

  • 0079731832

Molecular Formulas

Molecular Formula

  • C21-H28-Br-N2-O2.C4-H5-O6

Molecular Formula Fragments

  • C21-H28-Br-N2-O2
  • C4-H5-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C21H28BrN2O2.C4H6O6/c1-4-11-12-8-15-18-21(13-7-10(22)5-6-14(13)23(18)2)9-16(17(12)19(21)25)24(15,3)20(11)26;5-1(3(7)8)2(6)4(9)10/h5-7,11-12,15-20,25-26H,4,8-9H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/q+1;/p-1/t11-,12?,15-,16-,17?,18-,19+,20+,21?,24?;1-,2-/m01/s1

InChIKey

MTZQQYFKLKGKRO-ORCZJCDPSA-M

Smiles

CC[C@@H]1[C@H]([N+]2([C@H]3CC1C4[C@@H]2CC5([C@H]3N(c6c5cc(cc6)Br)C)[C@@H]4O)C)O.[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 185mg/kg (185mg/kg)   United States Patent Document. Vol. #4552877,
mouse LD50 oral 1087mg/kg (1087mg/kg)   United States Patent Document. Vol. #4552877,