(E)-Hex-3-ene-3,4-diylbis(4,1-phenylene) bis(dihydrogen phosphate) 乙烯雌酚二磷酸酯

CAS 522-40-7 MFCD00867397

化学结构图

522-40-7
SMILES: CC/C(=C(/CC)c1ccc(OP(=O)(O)O)cc1)c1ccc(OP(=O)(O)O)cc1

化学属性

Mol. FormulaC18H22O8P2
Mol. Weight428.31

别名和识别编码

Chemical Name(E)-Hex-3-ene-3,4-diylbis(4,1-phenylene) bis(dihydrogen phosphate)
Alfabeta NameHEXENEDIYLBISPHENYLENEBISDIHYDROGENPHOSPHATE 33441[](())----,,
MDL NumberMFCD00867397
Chemical Name Translation乙烯雌酚二磷酸酯
CAS Number522-40-7
Wiswesser Line NotationQPQO&OR DY2&UY2&R DOPQQO
Synonym (e)-4-(4-(4-(Phosphonooxy)phenyl)hex-3-en-3-yl)phenyl dihydrogen phosphate {LY} (e)-4-(4-(4-(Phosphonooxy)phenyl)hex-3-en-3-yl)phenyl dihydrogen phosphate {} {LY} (e)-4-(4-(4-(Phosphonooxy)phenyl)hex-3-en-3-yl)phenyl dihydrogen phosphate {} {} {LY} (e)-4-(4-(4-(Phosphonooxy)phenyl)hex-3-en-3-yl)phenyl dihydrogen phosphate {} {} {} {LY} (e)-4-(4-(4-(Phosphonooxy)phenyl)hex-3-en-3-yl)phenyl dihydrogen phosphate {} {} {} {} {LY} (e)-4-(4-(4-(Phosphonooxy)phenyl)hex-3-en-3-yl)phenyl dihydrogen phosphate {} {} {} {} {} {LY} (e)-4-(4-(4-(Phosphonooxy)phenyl)hex-3-en-3-yl)phenyl dihydrogen phosphate {} {} {} {} {} {} {LY} (e)-4-(4-(4-(Phosphonooxy)phenyl)hex-3-en-3-yl)phenyl dihydrogen phosphate {} {} {} {} {} {} {} {LY} (e)-4-(4-(4-(Phosphonooxy)phenyl)hex-3-en-3-yl)phenyl dihydrogen phosphate {} {} {} {} {} {} {} {} {LY} (e)-4-(4-(4-(Phosphonooxy)phenyl)hex-3-en-3-yl)phenyl dihydrogen phosphate {} {} {} {} {} {} {} {} {} {LY} (e)-4-(4-(4-(Phosphonooxy)phenyl)hex-3-en-3-yl)p
PubChem Substance ID3032325
InChIInChI=1S/C18H22O8P2/c1-3-17(13-5-9-15(10-6-13)25-27(19,20)21)18(4-2)14-7-11-16(12-8-14)26-28(22,23)24/h5-12H,3-4H2,1-2H3,(H2,19,20,21)(H2,22,23,24)/b18-17+
LabNetwork Molecule IDLN00162121
Canonical SMILESCC/C(=C(/CC)\C1=CC=C(C=C1)OP(=O)(O)O)/C2=CC=C(C=C2)OP(=O)(O)O
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安全信息

Warnings IRRITANT
RTECSWJ5680000 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Human - man
DOSE/DURATION           : 11 mg/kg/3D-I
TOXIC EFFECTS :
   Vascular - BP lowering not characterized in autonomic section
   Blood - change in clotting factors
   Skin and Appendages - sweating
REFERENCE :
   SMJOAV Southern Medical Journal.  (Southern Medical Assoc., POB 2446,
   Birmingham, AL 35205) V.1-    1908-  Volume(issue)/page/year: 75,248,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3 gm/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: -,435,1990

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 425 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: -,435,1990

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2 gm/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: -,435,1990

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 630 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not report

TYPE OF TEST            : Cytogenetic analysis
ROUTE OF EXPOSURE       : Intravenous
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 10 mg/kg
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 1,184,1979

TYPE OF TEST            : Mutation test systems - not otherwise specified
TEST SYSTEM             : Mammal - species unspecified Lymphocyte
DOSE/DURATION           : 25 nmol/L
REFERENCE :
   CYTOAN Cytologia.  (Japan Pub. Trading Co. (USA), 1255 Howard St., San
   Francisco, CA 94103) V.1-    1929-  Volume(issue)/page/year: 40,817,1975

TYPE OF TEST            : Sex chromosome loss and nondisjunction
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 1 mg/kg
REFERENCE :
   CNJGA8 Canadian Journal of Genetics and Cytology.  (National Research
   Council of Canada, Publication Sales and Distribution, Ottawa ON K1A OR6,
   Canada)  V.1-    1959-  Volume(issue)/page/year: 16,831,1974

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 400 mg/kg
SEX/DURATION            : female 6 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - cytological changes (including
   somatic cell genetic material)
REFERENCE :
   TJADAB Teratology, The International Journal of Abnormal Development. (Alan
   R. Liss, Inc., 41 E. 11th St., New York, NY 10003)  V.1-    1968-
   Volume(issue)/page/year: 9,229,1974

Storage condition

系列性分类

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