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N-Deacetylthiocolchicine
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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 Molecular Structure of 2731-16-0 (Thiocolciran) 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

N-Deacetylthiocolchicine Chemical Properties

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):

N-Deacetylthiocolchicine Toxicity Data With Reference

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.

N-Deacetylthiocolchicine Safety Profile

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 Specification

  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.

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