(Z)-but-2-enedioic acid,2-[4-[2-[(4-chlorophenyl)-phenylmethyl]sulfanylethyl]piperazin-1-yl]pyrimidine

Names

[ Name ]:
(Z)-but-2-enedioic acid,2-[4-[2-[(4-chlorophenyl)-phenylmethyl]sulfanylethyl]piperazin-1-yl]pyrimidine

[Synonym ]:
Pyrimidine,2-(4-(2-(((4-chlorophenyl)phenylmethyl)thio)ethyl)-1-piperazinyl)-,maleate
(Z)-but-2-enedioic acid
2-[4-[2-[(4-chlorophenyl)-phenylmethyl]sulfanylethyl]piperazin-1-yl]pyrimidine

Chemical & Physical Properties

[ Molecular Formula ]:
C₂₇H₂₉ClN₄O₄S

[ Molecular Weight ]:
541.06200

[ Exact Mass ]:
540.16000

[ PSA ]:
132.16000

[ LogP ]:
4.48950

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: TL2520000

CHEMICAL NAME :: Piperazine, 1-(2-(alpha-(p-chlorophenyl)benzylthio)ethyl)-4-(2-py rimidyl)-, maleate

CAS REGISTRY NUMBER :: 63978-28-9

LAST UPDATED :: 199107

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C23-H25-Cl-N4-S.C4-H4-O4

MOLECULAR WEIGHT :: 541.11

WISWESSER LINE NOTATION :: T6N DNTJ A2SYR&R DG& D- BT6N CNJ &QV1U1VQ -C

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 800 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 12,860,1969