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| Name |
N-(Ethoxyacetyl)deacetylthiocolchicine |
EINECS | N/A |
| CAS No. | 97043-02-2 | Density | 1.26g/cm3 |
| PSA | 111.88000 | LogP | 4.44180 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C24H29 N O6 S | Boiling Point | 741.4°Cat760mmHg |
| Molecular Weight | 459.563 | Flash Point | 402.2°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx and SOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Acetamide,2-ethoxy-N-[5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-,(S)-; Benzo[a]heptalene, acetamide deriv.; NSC 372485 |
N-(Ethoxyacetyl)deacetylthiocolchicine Chemical Properties
Product Name: N-(Ethoxyacetyl)deacetylthiocolchicine (CAS NO.97043-02-2)
Molecular Formula: C24H29NO6S
Molecular Weight: 459.60g/mol
Mol File: 97043-02-2.mol
Boiling point: 741.4 °C at 760 mmHg
Flash Point: 402.2 °C
Density: 1.26 g/cm3
Surface Tension: 52.6 dyne/cm
Enthalpy of Vaporization: 108.13 kJ/mol
Vapour Pressure: 7.49E-22 mmHg at 25°C
XLogP3-AA: 2
H-Bond Donor: 1
H-Bond Acceptor: 6
Structure Descriptors of N-(Ethoxyacetyl)deacetylthiocolchicine (CAS NO.97043-02-2):
IUPAC Name: 2-ethoxy-N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Canonical SMILES: CCOCC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC
Isomeric SMILES: CCOCC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC
InChI: InChI=1S/C24H29NO6S/c1-6-31-13-21(27)25-17-9-7-14-11-19(28-2)23(29-3)24(30-4)22(14)15-8-10-20(32-5)18(26)12-16(15)17/h8,10-12,17H,6-7,9,13H2,1-5H3,(H,25,27)/t17-/m0/s1
InChIKey: FQTHLSCRBAIBIC-KRWDZBQOSA-N
N-(Ethoxyacetyl)deacetylthiocolchicine Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 5100ug/kg (5.1mg/kg) | Journal of Medicinal Chemistry. Vol. 28, Pg. 1204, 1985. |
N-(Ethoxyacetyl)deacetylthiocolchicine Safety Profile
A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx and SOx.
N-(Ethoxyacetyl)deacetylthiocolchicine Specification
N-(Ethoxyacetyl)deacetylthiocolchicine ,its CAS NO. is 97043-02-2,the synonyms is BRN 5655148 ; Colchicine, 17-ethoxy-10-thio- ; Acetamide, 2-ethoxy-N-(5,6,7,9-tetrahydro-10-(methylthio)-9-oxo-1,2,3-trimethoxybenzo(a)heptalen-7-yl)-, (S)- .
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