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Substance Name: Belladonnine bisulfate monohydrate
RN: 5908-89-4
InChIKey: RDFVUAKFQVGDJQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C34-H40-N2-O4.H2-O4-S

Molecular Weight

  • 658.808
 
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Names and Synonyms

Name of Substance

  • Belladonnine bisulfate monohydrate

Synonyms

  • Belladonnin bis(hydrogensulfat)-1-wasser
  • Belladonninbisulfat-zusatz
  • Belladonninbisulfat-zusatz [German]

Systematic Name

  • 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 1,2,3,4-tetrahydro-1-phenyl-1,4-naphthalenedicarboxylate (ester), sulfate (1:1)

Registry Numbers

CAS Registry Number

  • 5908-89-4

System Generated Number

  • 0005908894

Molecular Formulas

Molecular Formula

  • C34-H40-N2-O4.H2-O4-S

Molecular Formula Fragments

  • C34-H40-N2-O4
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/C34H42N2O4.H2O4S.H2O/c1-35-23-12-13-24(35)19-22(18-23)34(33(38)40-27-8-4-3-5-9-27)17-16-30(29-10-6-7-11-31(29)34)32(37)39-28-20-25-14-15-26(21-28)36(25)2;1-5(2,3)4;/h3-11,22-26,28,30H,12-21H2,1-2H3;(H2,1,2,3,4);1H2

InChIKey

RDFVUAKFQVGDJQ-UHFFFAOYSA-N

Smiles

C1[C@@](C(=O)Oc2ccccc2)(C2C[C@@H]3CC[C@@H](C2)N3C)c2c([C@@H](C(=O)OC3C[C@@H]4CC[C@@H](C3)N4C)C1)cccc2.S(=O)(=O)(O)O.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 20mg/kg (20mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Arzneimittel-Forschung. Drug Research. Vol. 4, Pg. 287, 1954.
cat LDLo subcutaneous 250mg/kg (250mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Arzneimittel-Forschung. Drug Research. Vol. 4, Pg. 287, 1954.
frog LDLo subcutaneous 500mg/kg (500mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE
Arzneimittel-Forschung. Drug Research. Vol. 4, Pg. 287, 1954.
mouse LD50 oral 570mg/kg (570mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Arzneimittel-Forschung. Drug Research. Vol. 4, Pg. 287, 1954.
mouse LD50 subcutaneous 550mg/kg (550mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 4, Pg. 287, 1954.
rabbit LDLo intravenous 15mg/kg (15mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE
Arzneimittel-Forschung. Drug Research. Vol. 4, Pg. 287, 1954.
rat LD50 intravenous 22mg/kg (22mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 236, Pg. 149, 1959.
rat LD50 subcutaneous 500mg/kg (500mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 139, Pg. 281, 1962.