Sodium ((2R,3S,4R,5R)-3,4-Dihydroxy-5-(6-Hydroxy-9H-Purin-9-Yl)Tetrahydrofuran-2-Yl)Methyl Phosphate ((2R,3S,4R,5R)-3,4-二羟基-5-(6-羟基-9H-嘌呤-9-基)四氢呋喃-2-基)磷酸二钠盐

CAS 4691-65-0 MFCD00036201

化学结构图

4691-65-0
SMILES: O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.[NaH]

化学属性

Mol. FormulaC10H11N4Na2O8P
Mol. Weight392.17
TSCAYes
Melting Point175 ºC

别名和识别编码

Chemical NameSodium ((2R,3S,4R,5R)-3,4-Dihydroxy-5-(6-Hydroxy-9H-Purin-9-Yl)Tetrahydrofuran-2-Yl)Methyl Phosphate
Synonym Disodium 5'-inosinate {LY} Disodium 5'-inosinate {} {LY} Disodium 5'-inosinate {} {} {LY} Disodium 5'-inosinate {} {} {} {LY} Disodium 5'-inosinate {} {} {} {} {LY} Disodium 5'-inosinate {} {} {} {} {} {LY} Disodium 5'-inosinate {} {} {} {} {} {} {LY} Disodium 5'-inosinate {} {} {} {} {} {} {} {LY} Disodium 5'-inosinate {} {} {} {} {} {} {} {} {LY} Disodium 5'-inosinate {} {} {} {} {} {} {} {} {} {LY} Disodium 5'-inosinate {} {} {} {} {} {} {} {} {} {} {LY} Disodium 5'-inosinate {} {} {} {} {} {} {} {} {} {} {} {LY} Disodium 5'-inosinate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Disodium 5'-inosinate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Disodium 5'-inosinate {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Disodium 5'-inosinate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Disodium
MDL NumberMFCD00036201
PubChem Substance ID135414245
EC Number225-146-4
CAS Number4691-65-0
Reaxys-RN5722042
Beilstein Registry Number31,26
Chemical Name Translation((2R,3S,4R,5R)-3,4-二羟基-5-(6-羟基-9H-嘌呤-9-基)四氢呋喃-2-基)磷酸二钠盐
InChIKeyAANLCWYVVNBGEE-IDIVVRGQSA-L
Wiswesser Line NotationT56 BN DN FVO INJ B- BT5OTJ CQ DQ E1OPWO &-NA- 2
InChIInChI=1S/C10H13N4O8P.2Na/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;;/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20);;/q;2*+1/p-2/t4-,6-,7-,10-;;/m1../s1
LabNetwork Molecule IDLN04671672
Canonical SMILESO=P(OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3=C(N=CN=C32)O)O1)O)O)(O[Na])O[Na]
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分类

  • {SNA} Metabolic Pathways, Metabolites and Cofactors on the Metabolic Pathways Chart, Metabolomics, Nucleotide

安全信息

Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
WGK Germany3
RTECSNM7519500
Hazard Codes T
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
Risk Statements
  • R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入,皮肤接触及吞食都有毒
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
GHS Symbol
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前,切勿操作。
  • P203
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛,皮肤或衣服。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P308+P313
  • P314 Get medical advice/attention if you feel unwell. 获取医疗咨询/就医,如果你觉得不舒服
  • P318
  • P319
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 3300 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TIDZAH Tokyo Ika Daigaku Zasshi.  Journal of Tokyo Medical College.  (Tokyo
   Ika Daigaku Igakkai, 6-1-1 Shinjuku, Shinjuku-ku, Tokyo 160, Japan)  1918-
   Volume(issue)/page/year: 24,553,1966

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 15900 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Lungs, Thorax, or Respiration - dyspnea
   Gastrointestinal - hypermotility, diarrhea
REFERENCE :
   AJINO* Ajinomoto Co., Inc.  (9 W. 57th St., Suite 4625, New York, NY 10019)
   Volume(issue)/page/year: -,-,1973

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 12 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TIDZAH Tokyo Ika Daigaku Zasshi.  Journal of Tokyo Medical College.  (Tokyo
   Ika Daigaku Igakkai, 6-1-1 Shinjuku, Shinjuku-ku, Tokyo 160, Japan)  1918-
   Volume(issue)/page/year: 24,553,1966

TYPE OF TEST

{hazard_

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 4850 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Lungs, Thorax, or Respiration - dyspnea
   Gastrointestinal - hypermotility, diarrhea
REFERENCE :
   AJINO* Ajinomoto Co., Inc.  (9 W. 57th St., Suite 4625, New York, NY 10019)
   Volume(issue)/page/year: -,-,1973

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Fibroblast
DOSE/DURATION           : 1 gm/L
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   22,623,1984

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 500 mg/kg
SEX/DURATION            : female 13 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
   JJPAAZ Japanese Journal of Pharmacology.  (Japanese Pharmacological Soc.,
   c/o Dept. of Pharmacology, Faculty of Medicine, Kyoto Univ., Sakyo-ku, Kyoto
   606, Japan)  V.1-    1951-  Volume(issue)/page/year: 22,201,1972

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 250 mg/kg
SEX/DURATION            : female 10 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
   JJPAAZ Japanese Journal of Pharmacology.  (Japanese Pharmacological Soc.,
   c/o Dept. of Pharmacology, Faculty of Medicine, Kyoto Univ., Sakyo-ku, Kyoto
   606, Japan)  V.1-    1951-  Volume(issue)/page/year: 22,201,1972

Hazard statements
  • H361 Suspected of damaging fertility or the unborn child 怀疑对生育能力或未出生婴儿造成伤害
  • H373 May causes damage to organs through prolonged or repeated exposure 长期或频繁接触可能会损伤器官
Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light 2-8°C, sealed storage, away from moisture {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

系列性分类


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