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Betanidine sulfate

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Name

Betanidine sulfate

EINECS N/A
CAS No. 37717-82-1 Density g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C18H14N2O8•7H2O4S Boiling Point °Cat760mmHg
Molecular Weight 1072.90 Flash Point °C
Transport Information N/A Appearance N/A
Safety Poison by subcutaneous and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of SOx and NOx. See also SULFATES. Risk Codes N/A
Molecular Structure Molecular Structure of 37717-82-1 ((4E)-6-carboxy-4-[(2E)-2-(2-carboxy-5,6-dihydroxy-1H-indolium-1-ylidene)ethylidene]-1,2,3,4-tetrahydropyridinium-2-carboxylate hydrogen sulfate) Hazard Symbols N/A
Synonyms

N/A

 

Betanidine sulfate Chemical Properties

IUPAC Name: (4E)-6-carboxy-4-[2-(2-carboxy-5,6-dihydroxyindol-1-ium-1-ylidene)ethylidene]-2,3-dihydro-1H-pyridin-1-ium-2-carboxylate ; hydrogen sulfate
Synonyms of Betanidine sulfate (CAS NO.37717-82-1): Betanidin sulfate ; 1H-Indolium, 2-carboxy-1-((2,6-dicarboxy-2,3-dihydro-4(1H)-pyridinylidene)ethylidene)-5,6-dihydroxy-, hydroxide, inner salt, sulfate (salt) ; 2,6-Pyridinedicarboxylic acid, 4-(2-(2-carboxy-2,3-dihydro-5,6-dihydroxy-1H-indol-1-yl)ethenyl)-2,3-dihydro-, (S-(R*,R*))-, sulfate (salt)
CAS NO: 37717-82-1
Molecular Formula of Betanidine sulfate (CAS NO.37717-82-1): C18H16N2O12
Molecular Weight: 484.3908    
H bond acceptors: 10
H bond donors of Betanidine sulfate (CAS NO.37717-82-1): 6
Freely Rotating Bonds: 6
Polar Surface Area: 108.36 Å2
Molecular Structure:

Betanidine sulfate Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 170mg/kg (170mg/kg)   Drugs in Japan Vol. 6, Pg. 750, 1982.
mouse LD50 oral 1059mg/kg (1059mg/kg)   Drugs in Japan Vol. 6, Pg. 750, 1982.
mouse LD50 subcutaneous 398mg/kg (398mg/kg)   Drugs in Japan Vol. 6, Pg. 750, 1982.
rat LD50 intraperitoneal 135mg/kg (135mg/kg)   Drugs in Japan Vol. 6, Pg. 750, 1982.
rat LD50 oral 3142mg/kg (3142mg/kg)   Drugs in Japan Vol. 6, Pg. 750, 1982.
rat LD50 subcutaneous 681mg/kg (681mg/kg)   Drugs in Japan Vol. 6, Pg. 750, 1982.

Betanidine sulfate Safety Profile

Poison by subcutaneous and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of SOx and NOx. See also SULFATES.

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