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Name |
N-Deacetylthiocolchicine |
EINECS | N/A |
CAS No. | 2731-16-0 | Density | 1.27g/cm3 |
PSA | 96.08000 | LogP | 4.10780 |
Solubility | N/A | Melting Point |
198 °C |
Formula | C20H23 N O4 S | Boiling Point | 631.6°Cat760mmHg |
Molecular Weight | 373.473 | Flash Point | 335.8°C |
Transport Information | N/A | Appearance | N/A |
Safety | Poison by ingestion, intraperitoneal, intravenous, intramuscular, parenteral and intracerebral routes. An experimental teratogen. Human systemic effects by intravenous route: hypermotility, diarrhea, nausea, vomiting, and leukopenia (reduced white blood cell count). When heated to decomposition it emits very toxic fumes of NOx and SOx. See also COLCHICINE. | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzo[a]heptalen-9(5H)-one,7-amino-6,7-dihydro-1,2,3-trimethoxy-10-(methylthio)-, (S)-; Colchicine,N-deacetyl-10-thio- (6CI,7CI,8CI); (-)-Thiodeacetylcolchicine;N-Deacetyl-10-thiocolchicine; N-Deacetylthiocolchicine;N-Desacetylthiocolchicine; NSC 9170; PKH 147; Thio-Colciran |
Article Data | 17 |
IUPAC Name: (7S)-7-amino-1,2,3-trimethoxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one
Empirical Formula: C20H23NO4S
Molecular Weight: 373.4659g/mol
Index of Refraction: 1.624
Molar Refractivity: 103.46 cm3
Molar Volume: 292.7 cm
3 Polarizability: 41.01×10-24cm3
Surface Tension: 54.7 dyne/cm
Density: 1.27 g/cm3
Flash Point: 335.8 °C
Enthalpy of Vaporization: 93.4 kJ/mol
Boiling Point: 631.6 °C at 760 mmHg
Vapour Pressure: 7.33E-16 mmHg at 25°C
Canonical SMILES: COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)N)OC)OC
Isomeric SMILES: COC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)SC)N)OC)OC
InChI: InChI=1S/C20H23NO4S/c1-23-16-9-11-5-7-14(21)13-10-15(22)17(26-4)8-6-12(13)18(11)20(25-3)19(16)24-2/h6,8-10,14H,5,7,21H2,1-4H3/t14-/m0/s1
InChIKey: NUNCOHUMTCDISK-AWEZNQCLSA-N
Structure of N-Deacetylthiocolchicine (CAS NO.2731-16-0):
1. | ivn-mky TDLo:6 mg/kg (13-14W preg):TER | ACEDAB Acta Endocrinologica, Supplementum. 166 (1972),435. | ||
2. | ivn-hmn TDLo:71 µg/kg/D:GIT,BLD | BAFEAG Bulletin de lAssociation Francaise pour lEtude du Cancer. 42 (1955),308. | ||
3. | ipr-rat LD50:175 mg/kg | PSEBAA Proceedings of the Society for Experimental Biology and Medicine. 98 (1958),479. | ||
4. | ims-rat LD50:37 mg/kg | PSEBAA Proceedings of the Society for Experimental Biology and Medicine . 98 (Academic Press,New York, NY.: )1958,479. | ||
5. | ice-rat LDLo:2 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 109 (1957),386. | ||
6. | par-rat LDLo:2000 µg/kg | FRPSAX Farmaco, Edizione Scientifica. 15 (1960),533. | ||
7. | orl-mus LD50:50 mg/kg | BAFEAG Bulletin de lAssociation Francaise pour lEtude du Cancer. 42 (1955),308. | ||
8. | ipr-mus LD50:66 mg/kg | JMCMAR Journal of Medicinal Chemistry. 24 (1981),636. | ||
9. | ivn-mus LD50:80 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 107 (1956),150. |
Poison by ingestion, intraperitoneal, intravenous, intramuscular, parenteral and intracerebral routes. An experimental teratogen. Human systemic effects by intravenous route: hypermotility, diarrhea, nausea, vomiting, and leukopenia (reduced white blood cell count). When heated to decomposition it emits very toxic fumes of NOx and SOx. See also COLCHICINE.
N-Deacetylthiocolchicine , its cas register number is 2731-16-0. It also can be called 4-14-00-00954 (Beilstein Handbook Reference) ; BRN 2822164 ; Benzo(a)heptalen-9(5H)-one, 7-amino-6,7-dihydro-1,2,3-trimethoxy-10-(methylthio)-, (S)- ;
Colchicine, N-deacetyl-10-demethoxy-10-methylthio- ; Colchicine, N-deacetyl-thio- ; Corps R. 261 ;
Deacetylthiocolchicine ; N-Deacetyl-10-demethoxy-10-methylthiocolchicine ; N-Deacetylmethylthiocolchicine ; NSC 9170 ; R 261 ; Thiolcolciran . N-Deacetylthiocolchicine (CAS NO.2731-16-0) will cause diarrhea, nausea, vomiting, and leukopenia. When heated to decomposition it emits very toxic fumes of NOx and SOx.