(Z)-but-2-enedioic acid,2-[4-[2-[(4-chlorophenyl)-phenylmethyl]sulfanylethyl]piperazin-1-yl]pyrimidine
Names
[ CAS No. ]:
63978-28-9
[ 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