- Cytisine
- Cytisine hydrochloride
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Cas Database |
| Name |
Cytisine hydrochloride |
EINECS | N/A |
| CAS No. | 6047-01-4 | Density | N/A |
| PSA | 71.77000 | LogP | 0.73530 |
| Solubility | N/A | Melting Point |
152-153oC |
| Formula | C11H14N2O•ClH | Boiling Point | 218oC at 2 MM HG |
| Molecular Weight | 226.706 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by ingestion, intraperitoneal, and intravenous routes. When heated to decomposition it emits very toxic fumes of HCl and NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
(+/-)-cytisine hydrochloride;1,2,3,4,5,6-Hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-on,Monohydrochlorid;1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one,monohydrochloride;6-Aminopyrimidin-2(1H)-one hydrochloride; |
Article Data | 1 |
Cytisine hydrochloride Chemical Properties
Molecule structure of Cytisine hydrochloride (CAS NO.6047-01-4):
Molecular Weight: 226.7026 g/mol
Molecular Formula: C11H15ClN2O
Boiling Point: 434.1 °C at 760 mmHg
Flash Point: 216.3 °C
Enthalpy of Vaporization: 70.35 kJ/mol
Vapour Pressure: 6.11E-08 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 3
Tautomer Count: 5
Exact Mass: 226.087291
MonoIsotopic Mass: 226.087291
Topological Polar Surface Area: 33.5
Heavy Atom Count: 15
Complexity: 332
Canonical SMILES: C1C2CNCC1C3=CC=CC(=O)[NH+]3C2.[Cl-]
InChI: InChI=1S/C11H14N2O.ClH/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11;/h1-3,8-9,12H,4-7H2;1H
InChIKey: NNYPHEBIGWBCNH-UHFFFAOYSA-N
EINECS of Cytisine hydrochloride (CAS NO.6047-01-4): 227-940-6
Cytisine hydrochloride Toxicity Data With Reference
| 1. | orl-mus LD50:101 mg/kg | BJPCBM British Journal of Pharmacology. 35 (1969),161. | ||
| 2. | ipr-mus LD50:9400 µg/kg | BJPCBM British Journal of Pharmacology. 35 (1969),161. | ||
| 3. | ivn-mus LD50:1730 µg/kg | BJPCBM British Journal of Pharmacology. 35 (1969),161. |
Cytisine hydrochloride Safety Profile
Poison by ingestion, intraperitoneal, and intravenous routes. When heated to decomposition it emits very toxic fumes of HCl and NOx.
Cytisine hydrochloride Specification
Cytisine hydrochloride (CAS NO.6047-01-4) is also named as (-)-7R:9S-Cytisine hydrochloride ; Cytisine HCl .
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