4-[[3-[2-[2-[4-[(4-Chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethoxycarbonyl]-2-hydroxynaphthalen-1-yl]methyl]-3-hydroxynaphthalene-2-carboxylic acid

CAS 5978-92-7 MFCD05978927

化学结构图

5978-92-7
SMILES: O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)OCCOCCN3CCN(C(c4ccccc4)c4ccc(Cl)cc4)CC3)cc3ccccc23)c1O

化学属性

Mol. Weight745.32
Mol. FormulaC44H41ClN2O7

别名和识别编码

Chemical NameHydroxyzine pamoate (ester)
Chemicalbook IDCB91248211
Wiswesser Line NotationL66J CQ EVQ B1- EL66J CQ BVO2O2- AT6N DNTJ DYR&R DG
Synonym Hydroxyzine pamoate
CAS Number5978-92-7
InChIKeyYENRTVJWRCAGEM-UHFFFAOYSA-N
PubChem Substance ID22287
InChIInChI=1S/C44H41ClN2O7/c45-33-16-14-30(15-17-33)40(29-8-2-1-3-9-29)47-20-18-46(19-21-47)22-23-53-24-25-54-44(52)39-27-32-11-5-7-13-35(32)37(42(39)49)28-36-34-12-6-4-10-31(34)26-38(41(36)48)43(50)51/h1-17,26-27,40,48-49H,18-25,28H2,(H,50,51)
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安全信息

RTECSQL2200000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1840 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NIIRDN Drugs in Japan (Ethical Drugs).  (Yakugyo Jiho Co., Ltd., Tokyo,
   Japan)  Volume(issue)/page/year: 6,621,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 360 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NIIRDN Drugs in Japan (Ethical Drugs).  (Yakugyo Jiho Co., Ltd., Tokyo,
   Japan)  Volume(issue)/page/year: 6,621,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1740 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NIIRDN Drugs in Japan (Ethical Drugs).  (Yakugyo Jiho Co., Ltd., Tokyo,
   Japan)  Volume(issue)/page/year: 6,621,1982

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 600 mg/kg
SEX/DURATION            : female 10-15 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - craniofacial
   (including nose and tongue)
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
   AJOGAH American Journal of Obstetrics and Gynecology.  (C.V. Mosby Co.,
   11830 Westline Industrial Dr., St. Louis, MO 63146)  V.1-    1920-
   Volume(issue)/page/year: 95,109,1966

系列性分类

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