-
Name
(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
- EINECS
- CAS No. 37717-82-1
- Density g/cm3
- Solubility
- Melting Point
- Formula C18H14N2O8•7H2O4S
- Boiling Point °Cat760mmHg
- Molecular Weight 1072.90
- Flash Point °C
- Transport Information
- Appearance
- 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
-
Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
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): C18H16N2O12S
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:
.bmp)
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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