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Substance Name: Ajmalanium, 17,21-dihydroxy-4-(2-propenyl)-, bromide, (17R,21-alpha)-
RN: 107870-71-3
InChIKey: FVJYANBRYOGVGH-UTZXWTGVSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H31-N2-O2.Br

Molecular Weight

  • 447.4139
 
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Names and Synonyms

Synonyms

  • (17R,21-alpha)-17,21-Dihydroxy-4-(2-propenyl)ajmalanium bromide
  • Ajmalinium, N(sup 4)-allyl-, bromide
  • N(sup 4)-Allylajmalinium bromide

Systematic Names

  • Ajmalanium, 17,21-dihydroxy-4-(2-propenyl)-, bromide, (17R,21-alpha)-
  • N(sup 6)-Allylajmalinium bromide (7CI)

Registry Numbers

CAS Registry Number

  • 107870-71-3

System Generated Number

  • 0107870713

Molecular Formulas

Molecular Formula

  • C23-H31-N2-O2.Br

Molecular Formula Fragments

  • Br
  • C23-H31-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C23H31N2O2.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;/h4,6-9,13-14,17-22,26-27H,1,5,10-12H2,2-3H3;1H/q+1;/p-1/t13-,14?,17-,18-,19?,20-,21+,22+,23?,25?;/m0./s1

InChIKey

FVJYANBRYOGVGH-UTZXWTGVSA-M

Smiles

CC[C@@H]1[C@H]([N+]2([C@H]3CC1C4[C@@H]2CC5([C@H]3N(c6c5cccc6)C)[C@@H]4O)CC=C)O.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 31500ug/kg (31.5mg/kg)   Pharmaceutical Chemistry Journal Vol. 28, Pg. 150, 1994.