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Substance Name: Dihydroxygenine-ajmaline bromide
RN: 83048-05-9
InChIKey: JPBBOIVVPLONQC-UHFFFAOYSA-M

Molecular Formula

  • C45-H61-N2-O7.Br

Molecular Weight

  • 821.8879
 
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Names and Synonyms

Results Name

  • Dihydroxygenine-ajmaline bromide

Synonym

  • Dihydroxygenine-ajmaline bromide

Systematic Name

  • Ajmalanium, 4-(2-(((3-beta,5-beta,14-beta)-21,23-epoxy-14-hydroxy-23-oxo-24-norchol-20(22)-en-3-yl)oxy)-2-oxoethyl)-17,21-dihydroxy-, bromide (17R,21-alpha)-

Registry Numbers

CAS Registry Number

  • 83048-05-9

System Generated Number

  • 0083048059

Molecular Formulas

Molecular Formula

  • C45-H61-N2-O7.Br

Molecular Formula Fragments

  • Br
  • C45-H61-N2-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C45H61N2O7.BrH/c1-5-27-28-20-34-39-44(32-8-6-7-9-33(32)46(39)4)21-35(38(28)40(44)50)47(34,41(27)51)22-37(49)54-26-12-15-42(2)25(19-26)10-11-31-30(42)13-16-43(3)29(14-17-45(31,43)52)24-18-36(48)53-23-24;/h6-9,18,25-31,34-35,38-41,50-52H,5,10-17,19-23H2,1-4H3;1H/q+1;/p-1

InChIKey

JPBBOIVVPLONQC-UHFFFAOYSA-M

Smiles

CCC1C2CC3C4C5(CC(C2C5O)[N+]3(C1O)CC(=O)OC6CCC7(C(C6)CCC8C7CCC9(C8(CCC9C1=CC(=O)OC1)O)C)C)c1ccccc1N4C.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 740mg/kg (740mg/kg)   Khimiya Prirodnykh Soedinenii. Chemistry of Natural Compounds. Vol. (2), Pg. 239, 1985.