Benzo[a]heptalen-9(5H)-one,7-amino-6,7-dihydro-1,2,3-trimethoxy-10-(methylthio)-, (7S)-
Names
[ CAS No. ]:
2731-16-0
[ Name ]:
Benzo[a]heptalen-9(5H)-one,7-amino-6,7-dihydro-1,2,3-trimethoxy-10-(methylthio)-, (7S)-
[Synonym ]:
N-Deacetylmethylthiocolchicine
Desacetyl thiocolchicine
(S)-7-amino-1,2,3-trimethoxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one
deacetyl-10-thiocolchicine
N-deacetyl thiocolchicine
Colchicine,N-deacetyl-thio
Thiolcolciran
7-deacetylthiocolchicine
Corps R. 261
N-Desacetylthiocolchicine
Thio-colciran
Deacetylthiocolchicine
Chemical & Physical Properties
[ Density]:
1.27g/cm3
[ Boiling Point ]:
631.6ºC at 760mmHg
[ Molecular Formula ]:
C20H23NO4S
[ Molecular Weight ]:
373.46600
[ Flash Point ]:
335.8ºC
[ Exact Mass ]:
373.13500
[ PSA ]:
96.08000
[ LogP ]:
4.10780
[ Vapour Pressure ]:
7.33E-16mmHg at 25°C
[ Index of Refraction ]:
1.624
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- GH0875000
- CHEMICAL NAME :
- Colchicine, N-deacetyl-10-thio-
- CAS REGISTRY NUMBER :
- 2731-16-0
- BEILSTEIN REFERENCE NO. :
- 2822164
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 9
- MOLECULAR FORMULA :
- C20-H23-N-O4-S
- MOLECULAR WEIGHT :
- 373.50
- WISWESSER LINE NOTATION :
- L B677 MV&T&J CO1 DO1 EO1 JZ NS1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Human
- DOSE/DURATION :
- 71 ug/kg/D
- TOXIC EFFECTS :
- Gastrointestinal - hypermotility, diarrhea Gastrointestinal - nausea or vomiting Blood - leukopenia
- REFERENCE :
- BAFEAG Bulletin de l'Association Francaise pour l'Etude du Cancer. (Paris, France) V.1-52, 1908-65. For publisher information, see BUCABS. Volume(issue)/page/year: 42,308,1955
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 175 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 98,479,1958
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intramuscular
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 37 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 98,479,1958
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intracerebral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2 mg/kg
- TOXIC EFFECTS :
- Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Behavioral - excitement
- REFERENCE :
- AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 109,386,1957
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Parenteral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2000 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 15,533,1960
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 50 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- BAFEAG Bulletin de l'Association Francaise pour l'Etude du Cancer. (Paris, France) V.1-52, 1908-65. For publisher information, see BUCABS. Volume(issue)/page/year: 42,308,1955
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 66 mg/kg
- TOXIC EFFECTS :
- Tumorigenic - active as anti-cancer agent
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 24,636,1981
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 80 mg/kg
- TOXIC EFFECTS :
- Behavioral - tremor Behavioral - convulsions or effect on seizure threshold
- REFERENCE :
- AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 107,150,1956 ** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intravenous
- DOSE :
- 6 mg/kg
- SEX/DURATION :
- female 13-14 week(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - fetal death
- REFERENCE :
- ACEDAB Acta Endocrinologica, Supplementum (Copenhagen). (Periodica, Skolegade 12 E, DK-2500 Valby, Denmark) No.1- 1948- Volume(issue)/page/year: 166,435,1972
Safety Information
[ HS Code ]:
2930909090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2930909090
[ Summary ]:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%