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68351-09-7

68351-09-7 structure

68351-09-7 structure

Name: 3-chloro-5-piperazin-1-ium-1-yl-5,6-dihydrobenzo[b][1]benzothiepin-1-ol,(Z)-4-hydroxy-4-oxobut-2-enoate
Chemical Name: 3-chloro-5-piperazin-1-ium-1-yl-5,6-dihydrobenzo[b][1]benzothiepin-1-ol,(Z)-4-hydroxy-4-oxobut-2-enoate
CAS Number: 68351-09-7
Molecular Formula: C₂₂H₂₃ClN₂O₅S
Molecular Weight: 462.94600
Create Date: 2017-01-03 19:57:32
Modify Date: 2024-01-10 19:49:28

Name	3-chloro-5-piperazin-1-ium-1-yl-5,6-dihydrobenzo[b][1]benzothiepin-1-ol,(Z)-4-hydroxy-4-oxobut-2-enoate
Synonyms	8-Chloro-6-hydroxy-10-piperazino-10,11-dihydrodibenzo(b,f)thiepin maleate 3-chloro-5-piperazin-1-ium-1-yl-5,6-dihydrobenzo[b][1]benzothiepin-1-ol Dibenzo(b,f)thiepin-4-ol,10,11-dihydro-2-chloro-11-(1-piperazinyl)-,(Z)-2-butenedioate (1:1) 10,11-Dihydro-2-chloro-11-(1-piperazinyl)dibenzo(b,f)thiepin-4-ol maleate

Molecular Formula	C₂₂H₂₃ClN₂O₅S
Molecular Weight	462.94600
Exact Mass	462.10200
PSA	135.40000
LogP	3.67770

CHEMICAL IDENTIFICATION

RTECS NUMBER :: HQ2647830

CAS REGISTRY NUMBER :: 68351-09-7

LAST UPDATED :: 198806

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C18-H19-Cl-N2-O-S.C4-H4-O4

MOLECULAR WEIGHT :: 462.98

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 300 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: 43,1747,1978