1-Hydroxyethane-1,1-diphosphonic acid disodium salt 1-羟基乙烷-1,1-二磷酸二钠盐

CAS 7414-83-7 MFCD00152567

化学结构图

7414-83-7
SMILES: CC(O)(P(=O)([O-])O)P(=O)([O-])O.[Na+].[Na+]

化学属性

Mol. FormulaC2H6Na2O7P2
Mol. Weight249.99
Melting Point>300 °C

别名和识别编码

Chemical Name1-Hydroxyethane-1,1-diphosphonic acid disodium salt
Synonym Etidronic acid (disodium) {LY} Etidronic acid (disodium) {} {LY} Etidronic acid (disodium) {} {} {LY} Etidronic acid (disodium) {} {} {} {LY} Etidronic acid (disodium) {} {} {} {} {LY} Etidronic acid (disodium) {} {} {} {} {} {LY} Etidronic acid (disodium) {} {} {} {} {} {} {LY} Etidronic acid (disodium) {} {} {} {} {} {} {} {LY} Etidronic acid (disodium) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Etidronic acid (disodium) {} {} {} {} {} {} {} {} {} {LY} Etidronic acid (disodium) {} {} {} {} {} {} {} {} {} {} {LY} Etidronic acid (disodium) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Etidronic acid (disodium) {} {} {} {} {} {} {} {} {} {} {} {} {LY} Etidronic acid (disodium) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Etidronic acid (disodium) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Etidronic acid (disodium) {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00152567
CAS Number7414-83-7
EC Number231-025-7
Reaxys-RN5190835
Merck Number3863
PubChem Substance ID23894
Chemical Name Translation1-羟基乙烷-1,1-二磷酸二钠盐
Beilstein Registry Number5190835
Wiswesser Line NotationQPQOYQ1OPQQ &-NA- 2
InChIInChI=1S/C2H8O7P2.2Na/c1-2(3,10(4,5)6)11(7,8)9;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;/q;2*+1/p-2
Canonical SMILESOC(P(O)(O[Na])=O)(P(O)(O[Na])=O)C
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分类

  • Bioactive Small Molecules, Biochemicals and Reagents, Cancer Metabolism, Cancer Research, Cell Biology, D to K, E, Enzyme Inhibitors, Enzyme Inhibitors by Enzyme, Enzymes, Inhibitors, and Substrates, Farnesyl diphosphate synthase, Mevalonat
  • {SNA}
  • {SNA} Bioactive Small Molecules,
  • {SNA} Biochemicals and Reagents,
  • {SNA} Bioactive Small Molecule Alphabetical Index, D to K, E, Enzyme Inhibitors, Enzyme Inhibitors by Enzyme, Farnesyl diphosphate synthase, 生化试剂, 生物活性小分子, 甲羟戊酸途径中的抑制剂和激活剂, 癌症中的甲羟戊酸途径, 癌症代谢, 癌症研究, 细胞生物学,

相关文献及参考

  • Merck 14 ,3863

安全信息

GHS Symbol
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
WGK Germany1
Signal word
Hazard statements
  • H302 Harmful if swallowed 吞食有害
Hazard Codes Xn
Risk Statements
RTECSSZ8562240
Storage condition 2-8°C, sealed storage, away from moisture {LY} 2-8°C, sealed storage, away from moisture Store at room temperature, keep dry and cool {} {LY} 2-8°C, sealed storage, away from moisture {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {} {} {L
Precautionary statements
  • P301+P312+P330
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
Safety Statements
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - woman
DOSE/DURATION           : 588 mg/kg/28W-I
TOXIC EFFECTS :
   Musculoskeletal - osteomalacia
   Musculoskeletal - other changes
REFERENCE :
   DRSAEA Drug Safety.  (Adis International Ltd.,  Private Bag 65901, Mairangi
   Bay, Auckland 10, New Zealan

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1340 mg/kg
TOXIC EFFECTS :
   Kidney, Ureter, Bladder - changes in both tubules and glomeruli
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 260 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Behavioral - convulsions or effect on seizure threshold
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   KSRNAM Kiso to Rinsho.  Clinical Report.  (Yubunsha Co., Ltd., 1-5, Kanda
   Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan)  V.1-    1960-
   Volume(issue)/page/year: 23,1251,1989

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 372 mg/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - chromodacryorrhea
   Sense Organs and Special Senses (Eye) - ptosis
   Behavioral - somnolence (general depressed activity)
REFERENCE :
   KSRNAM Kiso to Rinsho.  Clinical Report.  (Yubunsha Co., Ltd., 1-5, Kanda
   Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan)  V.1-    1960-
   Volume(issue)/page/year: 23,1251,1989

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 1 mmol/L
REFERENCE :
   KSRNAM Kiso to Rinsho.  Clinical Report.  (Yubunsha Co., Ltd., 1-5, Kanda
   Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan)  V.1-    1960-
   Volume(issue)/page/year: 23,1343,1989

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 11 gm/kg
SEX/DURATION            : female 7-17 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Maternal Effects - other effects
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
   Reproductive - Effects on Newborn - live birth index (measured after birth)
REFERENCE :
   KSRNAM Kiso to Rinsho.  Clinical Report.  (Yubunsha Co., Ltd., 1-5, Kanda
   Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan)  V.1-    1960-
   Volume(issue)/page/year: 23,1317,1989

TYPE OF TEST            : TDLo - Lowest published tox

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 86 gm/kg
SEX/DURATION            : male 9 week(s) pre-mating
                          female 2 week(s) pre-mating
                          female 1-7 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Maternal Effects - other effects
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
REFERENCE :
   KSRNAM Kiso to Rinsho.  Clinical Report.  (Yubunsha Co., Ltd., 1-5, Kanda
   Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan)  V.1-    1960-
   Volume(issue)/page/year: 23,1317,1989

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 7800 mg/kg
SEX/DURATION            : female 17-22 day(s) after conception
                          lactating female 20 day(s) post-birth
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4
   per # born alive)
   Reproductive - Effects on Newborn - physical
REFERENCE :
   KSR

系列性分类


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