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5800-19-1

5800-19-1 structure
5800-19-1 structure
  • Name: Metiapine
  • Chemical Name: 8-methyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine
  • CAS Number: 5800-19-1
  • Molecular Formula: C19H21N3S
  • Molecular Weight: 323.45500
  • Create Date: 2018-02-28 08:00:00
  • Modify Date: 2024-01-14 13:35:47

Name 8-methyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine
Synonyms 11-(N-Methylpiperazino)-2-methyldibenzo<b.f>-1,4-thiazepin
2-methyl-11-(4-methylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine
DIBENZO(b,f)(1,4)THIAZEPINE,2-METHYL-11-(4-METHYL-1-PIPERAZINYL)
Metiapine
Metiapina
Metiapina [INN-Spanish]
Metiapinum
3-Methyl-11-(4-methyl-1-piperazinyl)dibenzo<b,f><1,4>thiazepin
Metiapinum [INN-Latin]
2-Methyl-11-(4-methyl-1-piperazinyl)dibenzo(b,f)(1,4)thiazepine
Density 1.22g/cm3
Boiling Point 473.6ºC at 760mmHg
Molecular Formula C19H21N3S
Molecular Weight 323.45500
Flash Point 240.2ºC
Exact Mass 323.14600
PSA 44.14000
LogP 3.09670
Index of Refraction 1.669

CHEMICAL IDENTIFICATION

RTECS NUMBER :
HQ2275000
CHEMICAL NAME :
Dibenzo(b,f)(1,4)thiazepine, 2-methyl-11-(4-methyl-1-piperazinyl)-
CAS REGISTRY NUMBER :
5800-19-1
LAST UPDATED :
199612
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C19-H21-N3-S
MOLECULAR WEIGHT :
323.49
WISWESSER LINE NOTATION :
T C676 BS INJ M1 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 :
934 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: 22,334,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
487 mg/kg
TOXIC EFFECTS :
Behavioral - general anesthetic Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 25,220,1973
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
680 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: 22,334,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
320 mg/kg
TOXIC EFFECTS :
Behavioral - general anesthetic Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 25,220,1973 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
42 mg/kg
SEX/DURATION :
female 14 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - menstrual cycle changes or disorders Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated)
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 25,212,1973
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
24 mg/kg
SEX/DURATION :
female 9-16 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) Reproductive - Specific Developmental Abnormalities - musculoskeletal system Reproductive - Specific Developmental Abnormalities - other developmental abnormalities
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 25,212,1973

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5800-19-1 structure

5800-19-1

Literature: Schmutz,J. et al. Helvetica Chimica Acta, 1967 , vol. 50, p. 245 - 254

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5800-19-1 structure

5800-19-1

Literature: Schmutz,J. et al. Helvetica Chimica Acta, 1967 , vol. 50, p. 245 - 254
Precursor  2

DownStream  0