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Substance Name: Strophanthidine scopolamine bromide
RN: 97817-84-0
InChIKey: YQZCKWYFPJBOHJ-OKANPYDCSA-N

Molecular Formula

  • C42-H54-N-O11.Br

Molecular Weight

  • 828.7886
 
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Names and Synonyms

Results Name

  • Strophanthidine scopolamine bromide

Synonym

  • Strophanthidine scopolamine bromide

Systematic Name

  • Card-20(22)-enolide, 5,14-dihydroxy-3-(((7-(3-hydroxy-1-oxo-2-phenylpropoxy)-3-oxa-9-azoniatricyclo(3.3.1.0(sup 2,4))non-9-yl)acetyl)oxy)-19-hydroxy-, bromide, (3-beta,(1-alpha,2-beta,4-beta,5-alpha,7-beta(S)),5-beta)-

Registry Numbers

CAS Registry Number

  • 97817-84-0

System Generated Number

  • 0097817840

Molecular Formulas

Molecular Formula

  • C42-H54-N-O11.Br

Molecular Formula Fragments

  • Br
  • C42-H54-N-O11
  • COMPONENT

Structure Descriptors

InChI

1S/C42H53NO11.BrH/c1-39-12-9-30-31(42(39,49)15-11-29(39)25-16-34(45)51-22-25)10-14-41(48)19-26(8-13-40(30,41)23-50-2)52-35(46)20-43-32-17-27(18-33(43)37-36(32)54-37)53-38(47)28(21-44)24-6-4-3-5-7-24;/h3-7,20-21,25-27,29-33,36-37,48-49H,8-19,22-23H2,1-2H3;1H/b43-20-;/t25?,26-,27-,29-,30-,31+,32-,33?,36-,37+,39+,40-,41-,42?;/m0./s1

InChIKey

YQZCKWYFPJBOHJ-OKANPYDCSA-N

Smiles

C[C@]12CC[C@H]3[C@H](C1(CC[C@H]2C4CC(=O)OC4)O)CC[C@]5([C@@]3(CC[C@@H](C5)OC(=O)C=[N+]6[C@H]7C[C@@H](CC6[C@@H]8[C@H]7O8)OC(=O)/C(=C/O)/c9ccccc9)COC)O.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 5mg/kg (5mg/kg)   Khimiya Prirodnykh Soedinenii. Chemistry of Natural Compounds. Vol. (2), Pg. 239, 1985.