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2058-52-8

2058-52-8 structure

2058-52-8 structure

Name: Clotiapine
Chemical Name: 8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine
CAS Number: 2058-52-8
Molecular Formula: C₁₈H₁₈ClN₃S
Molecular Weight: 343.874
Catalog: API Nervous system medication Antipsychotic
Create Date: 2018-03-11 08:00:00
Modify Date: 2026-07-16 12:40:14
Clothiapine, an atypical antipsychotic agent, shares with clozapine its strong antiserotonergic properties[1].

Name	8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine
Synonyms	lw2159 clothiapine CLOTHIAPINE //BP Dibenzo[b,f][1,4]thiazine, 2-chloro-11-(4-methyl-1-piperazinyl) 2-Chloro-11-(4-methylpiperazino)dibenzo(b,f)(1,4)thiazine Entumine 2-Chloro-11-(4-methyl-1-piperazinyl)dibenzo[b,f][1,4]thiazepine S 805C hf2159 EINECS 218-162-8 Deliton Dibenzothiazine 8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,5]benzothiazine Dibenzothiazepine f)(1,4)thiazine,2-chloro-11-(4-methyl-1-piperazinyl)-dibenzo( Entumin 2-Chloro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)(1,4)thiazine Clotiapine (JAN) S-805C CLOTHIAPINE Clothiapin 2-Chloro-11-(4-methylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine Etumine

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.

Density	1.3±0.1 g/cm3
Boiling Point	483.8±55.0 °C at 760 mmHg
Melting Point	121-123℃
Molecular Formula	C₁₈H₁₈ClN₃S
Molecular Weight	343.874
Flash Point	246.4±31.5 °C
Exact Mass	343.091003
PSA	44.14000
LogP	3.13
Vapour Pressure	0.0±1.2 mmHg at 25°C
Index of Refraction	1.691

CHEMICAL IDENTIFICATION

RTECS NUMBER :: HQ2100000

CHEMICAL NAME :: Dibenzo(b,f)(1,4)thiazepine, 2-chloro-11-(4-methyl-1-piperazinyl)-

CAS REGISTRY NUMBER :: 2058-52-8

LAST UPDATED :: 199806

DATA ITEMS CITED :: 14

MOLECULAR FORMULA :: C18-H18-Cl-N3-S

MOLECULAR WEIGHT :: 343.90

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 :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 280 mg/kg

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 :: >500 mg/kg

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 :: 47 mg/kg

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 :: >300 mg/kg

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 :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 270 mg/kg

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 :: 348 mg/kg

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 :: 46 mg/kg

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 :: 160 mg/kg

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 :: Oral

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 150 mg/kg

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 :: Oral

DOSE :: 6 mg/kg

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 :: Oral

DOSE :: 72 mg/kg

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 :: Oral

DOSE :: 72 mg/kg

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 :: Oral

DOSE :: 6 mg/kg

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 :: Oral

DOSE :: 24 mg/kg

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

HS Code	2934999090

3159-04-4 structure

3159-04-4

~%

2058-52-8 structure

2058-52-8

Literature: Helvetica Chimica Acta, , vol. 50, p. 245 - 254

2770-11-8 structure

2770-11-8

~%

2058-52-8 structure

2058-52-8

Literature: Indian Journal of Chemistry, , vol. 12, p. 258 - 262

40172-71-2 structure

40172-71-2

~%

2058-52-8 structure

2058-52-8

Literature: Indian Journal of Chemistry, , vol. 12, p. 258 - 262

109-01-3 structure

109-01-3

13745-88-5 structure

13745-88-5

~%

2058-52-8 structure

2058-52-8

Literature: Helvetica Chimica Acta, , vol. 50, p. 245 - 254

37750-29-1 structure

37750-29-1

~%

2058-52-8 structure

2058-52-8

Literature: Indian Journal of Chemistry, , vol. 12, p. 258 - 262

109-01-3 structure

109-01-3

25697-38-5 structure

25697-38-5

~%

2058-52-8 structure

2058-52-8

Literature: Indian Journal of Chemistry, , vol. 12, p. 258 - 262

626-58-4 structure

626-58-4

30690-45-0 structure

30690-45-0

~%

2058-52-8 structure

2058-52-8

Literature: Indian Journal of Chemistry, , vol. 12, p. 258 - 262

Precursor 7
3159-04-4 2770-11-8 109-01-3 13745-88-5
37750-29-1 626-58-4 30690-45-0
DownStream 0

HS Code	2934999090
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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