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Substance Name: Ajmalinium, N(sup 4)-propyl-, bromide
RN: 14046-99-2
InChIKey: WNHGHARIQXGXTA-UTZXWTGVSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H33-N2-O2.Br

Molecular Weight

  • 449.43
 
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Names and Synonyms

Synonyms

  • 1-Propylajmalinium, bromide
  • Ajmalinium, 17,21-dihydroxy-4-propyl-, bromide, (17R,21-alpha)-
  • N-Propylajmaline bromide
  • N4-Propylajmaline bromide
  • N4-Propylajmalinium bromide
  • N6-Propylajmalinium bromide

Systematic Names

  • Ajmalanium, 17,21-dihydroxy-4-propyl-, bromide, (17R,21alpha)-
  • Ajmalinium, N(sup 4)-propyl-, bromide
  • N-Propylajmalinium bromide (7CI)

Registry Numbers

CAS Registry Number

  • 14046-99-2

System Generated Number

  • 0014046992

Molecular Formulas

Molecular Formula

  • C23-H33-N2-O2.Br

Molecular Formula Fragments

  • Br
  • C23-H33-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C23H33N2O2.BrH/c1-4-10-25-17-11-14(13(5-2)22(25)27)19-18(25)12-23(21(19)26)15-8-6-7-9-16(15)24(3)20(17)23;/h6-9,13-14,17-22,26-27H,4-5,10-12H2,1-3H3;1H/q+1;/p-1/t13-,14?,17-,18-,19?,20-,21+,22+,23?,25?;/m0./s1

InChIKey

WNHGHARIQXGXTA-UTZXWTGVSA-M

Smiles

[BrH-].O[C@@H]1[C@H]([C@@H]2C[C@H]3[C@H]4[C@@]5(C[C@H]([N@@+]13CCC)[C@@H]2[C@H]5O)c1ccccc1N4C)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 5mg/kg (5mg/kg)   Russian Pharmacology and Toxicology Vol. 33, Pg. 147, 1970.
guinea pig LDLo intravenous 7mg/kg (7mg/kg)   Russian Pharmacology and Toxicology Vol. 33, Pg. 147, 1970.
mouse LD50 intraperitoneal 19mg/kg (19mg/kg)   Russian Pharmacology and Toxicology Vol. 33, Pg. 147, 1970.
mouse LD50 unreported 31mg/kg (31mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 331, 1987.
rat LD50 intraperitoneal 12mg/kg (12mg/kg)   Russian Pharmacology and Toxicology Vol. 33, Pg. 147, 1970.