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| CAS No.: | 3811-06-1 |
|---|---|
| Name: | 2-AMINO-6-(P-CARBOXYAMINOPHENYL)-5-METHYLPHENANTHRIDINIUM ETHANESULFANATE |
| Molecular Structure: | |
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| Formula: | C23H22N3O2•C2H5O3S |
| Molecular Weight: | 481.61 |
| Synonyms: | 3-Amino-9-p-carbethoxyaminophenyl-10-methylphenanthridinium ethanesulphonate;2-Amino-6-(p-carboxyaminophenyl)-5-methylphenanthridinium ethanesulfonate ethyl ester;Carbidium ethanesulphonate;Carbidium ethanesulfonate;74C48;Phenanthridinium,2-amino-6-(4-((ethoxycarbonyl)amino)phenyl)-5-methyl-,ethanesulfonate;Phenanthridinium,2-amino-6-(p-carboxyaminophenyl)-5-methyl-,ethanesulfonate,ethyl ester; |
| Density: | g/cm3 |
| Boiling Point: | °Cat760mmHg |
| Flash Point: | °C |
| Safety: | Poison by subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of SOx and NOx. See also SULFONATES and ESTERS. |
| PSA: | 132.36000 |
| LogP: | 5.62510 |
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Chemistry
IUPAC Name: Ethanesulfonate ; EthylN-[4-(2-amino-5-Methylphenanthridin-5-ium-6-yl)phenyl]carbamate
Following is the structure of Carbidium ethanesulfonate (CAS NO.3811-06-1):
Empirical Formula: C25H27N3O5S
Molecular Weight: 481.564 g/mol
Canonical SMILES: CCOC(=O)NC1=CC=C(C=C1)C2=[N+](C3=C(C=C(C=C3)N)C4=CC=CC=C42)C.CCS(=O)(=O)[O-]
InChI: InChI=1S/C23H21N3O2.C2H6O3S/c1-3-28-23(27)25-17-11-8-15(9-12-17)22-19-7-5-4-6-18(19)20-14-16(24)10-13-21(20)26(22)2;1-2-6(3,4)5/h4-14H,3,24H2,1-2H3;2H2,1H3,(H,3,4,5)
InChIKey: HWNAMLYNDCCMPV-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | ipr-mus LD50:40 mg/kg | BJPCAL British Journal of Pharmacology and Chemotherapy. 5 (1950),287. | ||
| 2. | scu-mus LD50:130 mg/kg | BJPCAL British Journal of Pharmacology and Chemotherapy. 5 (1950),287. | ||
| 3. | ivn-mus LD50:10 mg/kg | BJPCAL British Journal of Pharmacology and Chemotherapy. 5 (1950),287. | ||
| 4. | ivn-rbt LD50:10 mg/kg | BJPCAL British Journal of Pharmacology and Chemotherapy. 5 (1950),287. |
Safety Profile
Poison by subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition, Carbidium ethanesulfonate (CAS NO.3811-06-1) emits toxic fumes of SOx and NOx. See also SULFONATES and ESTERS.
Specification
Carbidium ethanesulfonate , its cas register number is 3811-06-1. It also can be called 2-Amino-6-(p-carboxyaminophenyl)-5-methylphenanthridinium ethanesulfonate ethyl ester ; 3-Amino-9-p-carbethoxyaminophenyl-10-methylphenanthridinium
ethanesulphonate ; Carbidium ethanesulphonate ; and Phenanthridinium, 2-amino-6-(4-((ethoxycarbonyl)amino)phenyl)-5-methyl-, ethanesulfonate . Its classification code is Drug / Therapeutic Agent.