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Substance Name: Strophanthidine-19-carbonic acid-ajmaline bromide methyl ether
RN: 83036-86-6
InChIKey: BNHLNJNZDDKXHW-UHFFFAOYSA-L

Molecular Formula

  • C67-H88-N4-O11.2Br

Molecular Weight

  • 1285.2572
 
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Names and Synonyms

Results Name

  • Strophanthidine-19-carbonic acid-ajmaline bromide methyl ether

Synonym

  • Strophanthidine-19-carbonic acid-ajmaline bromide methyl ether

Systematic Name

  • Ajmalanium, 4,4'-((3-beta,5-beta,14-beta,16-beta)-21,23-epoxy-14-hydroxy-23-oxo-24-norchol-20(22)-ene-3,16-diyl)bis(oxy(2-oxo-2,1-ethanediyl))bis(17,21-dihydroxy-, dibromide, (17R,21-alpha)-(17'R,21'-alpha)-

Registry Numbers

CAS Registry Number

  • 83036-86-6

System Generated Number

  • 0083036866

Molecular Formulas

Molecular Formula

  • C67-H88-N4-O11.2Br

Molecular Formula Fragments

  • Br
  • C67-H88-N4-O11
  • COMPONENT

Structure Descriptors

InChI

1S/C67H88N4O11.2BrH/c1-7-36-38-25-46-57-65(42-13-9-11-15-44(42)68(57)5)27-48(54(38)59(65)75)70(46,61(36)77)30-52(73)81-35-19-21-63(3)34(24-35)17-18-41-40(63)20-22-64(4)56(33-23-51(72)80-32-33)50(29-67(41,64)79)82-53(74)31-71-47-26-39(37(8-2)62(71)78)55-49(71)28-66(60(55)76)43-14-10-12-16-45(43)69(6)58(47)66;;/h9-16,23,34-41,46-50,54-62,75-79H,7-8,17-22,24-32H2,1-6H3;2*1H/q+2;;/p-2

InChIKey

BNHLNJNZDDKXHW-UHFFFAOYSA-L

Smiles

CCC1C2CC3C4C5(CC(C2C5O)[N+]3(C1O)CC(=O)OC6CCC7(C(C6)CCC8C7CCC9(C8(CC(C9C1=CC(=O)OC1)OC(=O)C[N+]12C3CC(C(C1O)CC)C1C2CC2(C3N(c3c2cccc3)C)C1O)O)C)C)c1ccccc1N4C.[Br-].[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 140mg/kg (140mg/kg)   Khimiya Prirodnykh Soedinenii. Chemistry of Natural Compounds. Vol. (2), Pg. 239, 1985.