CAS Number2058-52-8
SynonymsDibenzothiazepine; Clotiapine; clothiapine; Entumin; Clotiapine (JAN); 2-Chloro-11-(4-methyl-1-piperazinyl)dibenzo[b,f][1,4]thiazepine; 2-Chloro-11-(4-methylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine; Etumine; EINECS 218-162-8
Molecular FormulaC18H18ClN3S
Molecular Weight343.88
Purity98%
Density1.3±0.1 g/cm3
Boiling Point483.8±55.0 °C at 760 mmHg
Melting Point121-123℃
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 2058-52-8 |
| Catalog No. | 2A-9009881 |
| Chinese Name | 氯噻平 |
| Synonyms | Dibenzothiazepine; Clotiapine; clothiapine; Entumin; Clotiapine (JAN); 2-Chloro-11-(4-methyl-1-piperazinyl)dibenzo[b,f][1,4]thiazepine; 2-Chloro-11-(4-methylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine; Etumine; EINECS 218-162-8 |
| Molecular Formula | C18H18ClN3S |
| Molecular Weight | 343.88 |
| Purity | 98 |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 483.8±55.0 °C at 760 mmHg |
| Melting Point | 121-123℃ |
| Storage Condition | The warehouse is low-temperature, ventilated, dry, |
| Application | Cloxipine is an atypical antipsychotic drug that has strong anti-tumor properties like clozapine [1]. |
| HTC | 2934999090 |
| MDL Number | C18H18ClN3S |
| SMILES | CN1CCN(C2=Nc3ccccc3Sc3ccc(Cl)cc32)CC1 |
| InChI | InChI=1S/C18H18ClN3S/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3 |
| InChI Key | KAAZGXDPUNNEFN-UHFFFAOYSA-N |
| MSDS | msds/9881_1_2058_52_8.pdf |
| Use of | Clothiapine, an atypical antipsychotic agent, shares with clozapine its strong antiserotonergic properties[1]. Properties Name 8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine Synonym More Synonyms Clotiapine Biological Activity Description Clothiapine, an atypical antipsychotic agent, shares with clozapine its strong antiserotonergic properties[1]. Related Catalog Research Areas >> Neurological Disease Signaling Pathways >> GPCR/G Protein >> 5-HT Receptor Signaling Pathways >> Neuronal Signaling >> 5-HT Receptor References [1]. Toren P, et al. Case study: emergence of transient compulsive symptoms during treatment with clothiapine. J Am Acad Child Adolesc Psychiatry. 1995;34(11):1469-1472. Chemical & Physical Properties Exact Mass 343.091003 PSA 44.14000 Index of Refraction 1.691 InChIKey KAAZGXDPUNNEFN-UHFFFAOYSA-N Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Dibenzo(b,f)(1,4)thiazepine, 2-chloro-11-(4-methyl-1-piperazinyl)- CAS REGISTRY NUMBER : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C18-H18-Cl-N3-S MOLECULAR WEIGHT : WISWESSER LINE NOTATION : T C676 BS INJ MG J- AT6N DNTJ D1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,234,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,233,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,404,1995 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intramuscular SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,233,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 15,841,1965 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,234,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,234,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intramuscular SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,234,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 14,657,1969 ** REPRODUCTIVE DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SEX/DURATION : female 9-14 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) REFERENCE : OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 4,305,1970 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SEX/DURATION : female 9-14 day(s) after conception TOXIC EFFECTS : Reproductive - Effects on Newborn - weaning or lactation index (e.g., # alive at weaning per # alive at day 4) Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain) REFERENCE : OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 4,305,1970 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SEX/DURATION : female 7-12 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Newborn - weaning or lactation index (e.g., # alive at weaning per # alive at day 4) REFERENCE : OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 4,305,1970 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SEX/DURATION : female 7-12 day(s) after conception TOXIC EFFECTS : Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) REFERENCE : OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 4,305,1970 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SEX/DURATION : female 7-12 day(s) after conception TOXIC EFFECTS : Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain) REFERENCE : OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 4,305,1970 Safety Information HS Code 2934999090 Synthetic Route Dibenzo[b,f][1,... CAS#:3159-04-4 Clotiapine CAS#:2058-52-8 Literature: Helvetica Chimica Acta, , vol. 50, p. 245 - 254 2-(4-Chlorophen... CAS#:2770-11-8 Clotiapine CAS#:2058-52-8 Literature: Indian Journal of Chemistry, , vol. 12, p. 258 - 262 CAS#:40172-71-2 Clotiapine CAS#:2058-52-8 Literature: Indian Journal of Chemistry, , vol. 12, p. 258 - 262 Precursor & DownStream Precursor 7 CAS#:3159-04-4 Dibenzo[b,f][1,... CAS#:2770-11-8 2-(4-Chlorophen... CAS#:109-01-3 methylpiperazine CAS#:13745-88-5 2,11-dichloro-d... DownStream 0 |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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