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Cas Database |
| Name |
Cyanustine hydrochloride |
EINECS | N/A |
| CAS No. | 17958-39-3 | Density | N/A |
| PSA | 70.00000 | LogP | 1.44180 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C15H25NO4•ClH | Boiling Point | 416.8°C at 760 mmHg |
| Molecular Weight | 319.87 | Flash Point | 205.9°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx, HCl, and Cl−. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | A poison. |
| Synonyms |
Cyanustine hydrochloride;Cynaustine hydrochloride; |
Article Data | 3 |
Cyanustine hydrochloride Chemical Properties
Product Name: Cyanustine hydrochloride (CAS NO.17958-39-3)
Molecular Formula: C15H25NO4•ClH
Molecular Weight: 319.87g/mol
Mol File: 17958-39-3.mol
Boiling point: 416.8 °C at 760 mmHg
Flash Point: 205.9 °C
Enthalpy of Vaporization: 77.41 kJ/mol
Vapour Pressure: 1.09E-08 mmHg at 25°C
H-Bond Donor: 3
H-Bond Acceptor: 5
Structure Descriptors of Cyanustine hydrochloride (CAS NO.17958-39-3):
IUPAC Name: [(8R)-3,4,5,6,7,8-hexahydropyrrolizin-4-ium-1-yl]methyl(2R)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate chloride
Canonical SMILES: CC(C)C(C(C)O)(C(=O)OCC1=CC[NH+]2C1CCC2)O.[Cl-]
Isomeric SMILES: C[C@@H]([C@](C(C)C)(C(=O)OCC1=CC[NH+]2[C@@H]1CCC2)O)O.[Cl-]
InChI: InChI=1S/C15H25NO4.ClH/c1-10(2)15(19,11(3)17)14(18)20-9-12-6-8-16-7-4-5-13(12)16;/h6,10-11,13,17,19H,4-5,7-9H2,1-3H3;1H/t11-,13+,15+;/m0./s1
InChIKey: IAZXZAXZQOMXBB-QWMUGUDESA-N
Cyanustine hydrochloride Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | intraperitoneal | 260mg/kg (260mg/kg) | VASCULAR: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA BLOOD: HEMORRHAGE | Frontiers of Biology. Vol. 9, Pg. 142, 1968. |
Cyanustine hydrochloride Safety Profile
A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx, HCl, and Cl−.
Cyanustine hydrochloride Specification
Cyanustine hydrochloride ,its CAS NO. is 17958-39-3,the synonyms is (+)-Cyanustine ; Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester, hydrochloride, (7aR-(7(2S*,3S*),7aR*))- ; Cyanustine (8CI) .
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