(Z)-but-2-enedioic acid,1-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperidine

Names

[ CAS No. ]:
21699-85-4

[ Name ]:
(Z)-but-2-enedioic acid,1-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperidine

Chemical & Physical Properties

[ Boiling Point ]:
343.8ºC at 760 mmHg

[ Molecular Formula ]:
C19H25NO4S

[ Molecular Weight ]:
363.47100

[ Flash Point ]:
161.7ºC

[ Exact Mass ]:
363.15000

[ PSA ]:
103.14000

[ LogP ]:
3.74920

[ Vapour Pressure ]:
6.86E-05mmHg at 25°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TN4222900
CAS REGISTRY NUMBER :
21699-85-4
LAST UPDATED :
198612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C15-H21-N-S.C4-H4-O4
MOLECULAR WEIGHT :
363.51

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
40 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CCCCAK Collection of Czechoslovak Chemical Communications. (Academic Press Inc. Ltd., 24-28 Oval Rd., London NW1 7DX, UK) V.1- 1929- Volume(issue)/page/year: 33,4315,1968

Related Compounds

  • O1-benzyl O2-methyl (2S,5R)-5-(2,4,6-triethylphenyl)pyrrolidine-1,2-dicarboxylate
  • tert-butyl N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-oxo-1-[(2,4,5-trifluorophenyl)methyl]ethyl]carbamate
  • tert-butyl N-[(1S,2R)-2-methyl-1-[(8R)-8-methyl-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]butyl]carbamate
  • N-({4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}methyl)-N-methylhydroxylamine
  • tert-butyl N-[(1S)-2,2-dimethyl-1-[(2R)-2-methyl-2-(3,4,5-trifluorophenyl)pyrrolidine-1-carbonyl]propyl]carbamate
  • tert-butyl N-[(3S)-4-oxo-8-(2,2,2-trifluoroacetyl)-2,3,5,7,9,10-hexahydropyrido[3,4-h][1,5]benzoxazepin-3-yl]carbamate
  • Tert-butyl 6-[2-(benzyloxycarbonylamino)-3-methoxy-3-oxo-propyl]-2-azaspiro[3.3]heptane-2-carboxylate
  • 2-(Tert-butoxycarbonylamino)-3-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
  • 4-Bromo-19-methoxy-1,11,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-3(8),4,6,14(22),16(21),17,19-heptaen-12-one
  • 2-[1-[[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]carbamoyl]-3-(2,4,5-trifluorophenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]acetic acid
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