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| CAS No.: | 8001-15-8 |
|---|---|
| Name: | EMETINE BISMUTH IODIDE |
| Molecular Structure: | |
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| Formula: | C29H40N2O4•BiI3 |
| Molecular Weight: | 1070.39 |
| Safety: | A poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of I− and NOx. See also BISMUTH COMPOUNDS, EMETINE, and IODIDES. |
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Chemistry
Empirical Formula of Emetine bismuth iodide (CAS NO.8001-15-8): C29H40BiI3N2O4
Molecular Weight: 1070.3327
Flash Point: 316.9 °C
Enthalpy of Vaporization: 89.36 kJ/mol
Boiling Point: 600.3 °C at 760 mmHg
Vapour Pressure: 2.27E-14 mmHg at 25 °C
Structure of Emetine bismuth iodide (CAS NO.8001-15-8):
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IUPAC Name: Bismuth (2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinoline triiodide
Canonical SMILES: CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC.[I-].[I-].[I-].[Bi+3]
Isomeric SMILES: CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC.[I-].[I-].[I-].[Bi+3]
InChI: InChI=1S/C29H40N2O4.Bi.3HI/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24;;;;/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3;;3*1H/q;+3;;;/p-3/t18-,21-,24+,25-;;;;/m0..../s1
InChIKey: VHDMKRGRHURPJE-ZRORTGKGSA-K
Toxicity Data With Reference
| 1. | orl-mus LD50:74 mg/kg | JPPMAB Journal of Pharmacy and Pharmacology. 16 (1964),65. | ||
| 2. | ipr-mus LD50:126 mg/kg | NCISP* National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program, Bethesda, MD 20205 JAN86 . | ||
| 3. | orl-cat LDLo:20 mg/kg | AJTMAQ American Journal of Tropical Medicine. 10 (1930),249. | ||
| 4. | orl-rbt LDLo:40 mg/kg | AJTMAQ American Journal of Tropical Medicine. 10 (1930),249. |
Safety Profile
A poison by ingestion and intraperitoneal routes. When heated to decomposition Emetine bismuth iodide (CAS NO.8001-15-8) emits very toxic fumes of I− and NOx. See also BISMUTH COMPOUNDS, EMETINE, and IODIDES.
Specification
Emetine bismuth iodide , its cas register number is 8001-15-8. It also can be called Emetine, compd. with bismuth(III) triiodide ; Emetine triiodobismuth(III) ; and Bismuth, triiodo(6',7',10,11-tetramethoxyemetan)- .