Sodium (2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-((3-carboxylatopropanoyl)oxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylate (2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-((3-羧基丙酰基)氧基)-2,4a,6a,6b,9,9,12a-七甲基-13-氧代-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-二十氢苉-2-羧酸二钠盐

CAS 7421-40-1 MFCD00079043

化学结构图

7421-40-1
SMILES: CC1(C(=O)[O-])CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC(=O)CCC(=O)[O-])C(C)(C)C5CCC43C)C2C1.[Na+].[Na+]

化学属性

Mol. FormulaC34 H48 O7 . 2 Na
Mol. Weight614.72
TSCANo
Melting Point>275°C (dec.)
Boiling Point-
Flash Point-

别名和识别编码

Chemical NameSodium (2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-((3-carboxylatopropanoyl)oxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylate
CAS Number7421-40-1
Synonym (3BETA-HYDROXY-11-OXOOLEAN-12-EN-30-OIC ACID 3-HEMISUCCINATE) DISODIUM SALT 18β-甘草次酸半琥珀酸酯二钠 20-beta)-3-bet 3-O-(beta-Carboxypropionyl)-11-oxo-18-beta-olean-12-en-30-oic acid, 3-beta-hydroxy-11-oxoolean-12-en-30-oicacidhydrogens 3-o-(beta-carboxypropionyl)-11-oxo-18-beta-olean-12-en-30-oicacid,disodium CARBENOXOLONE SODIUM Carbenoxolone Disodium {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
MDL Number-
PubChem Substance ID636402
EC Number231-044-0
Merck Number14,1793
Chemical Name Translation(2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-((3-羧基丙酰基)氧基)-2,4a,6a,6b,9,9,12a-七甲基-13-氧代-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-二十氢苉-2-羧酸二钠盐
Wiswesser Line NotationT F6 E6 B666 DO BUTJ F1 IOV2VQ J1 J1 N1 O1 R1 U1VQ U1&-NA- 2
InChIInChI=1S/C34H50O7.2Na/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6;;/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40);;/q;2*+1/p-2/t21-,23-,24-,27+,30+,31-,32-,33+,34+;;/m0../s1
Canonical SMILES-
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分类

  • Pharmaceuticals
  • Heterocycles
  • Intermediates & Fine Chemicals
  • Steroids
  • {SNA} Asymmetric Synthesis, Chemical Synthesis, Chiral Building Blocks, Complex Molecules

产品应用

  • Anti-inflammatory glucocorticoid related to Enoxolone. Antiulcerative.

相关文献及参考

  • [2]. Hossein Hosseinzadeh, et al. Anticonvulsant, Sedative and Muscle Relaxant Effects of Carbenoxolone in Mice. BMC Pharmacol. 2003 Apr 29;3:3.
  • [3]. Ismar R Haga, et al. Carbenoxolone-mediated Cytotoxicity Inhibits Vaccinia Virus Replication in a Human Keratinocyte Cell Line. Sci Rep. 2018 Nov 16;8(1):16956.
  • Minuz, P., et al.: Pharmacol. Res. Commun., 16, 875 (1984),
  • Pindato, S., et al.: Anal. Profiles Drug Subs. Excip., 24, 1 (1996),
  • Rask-Madsen, J., et al.: Eur. J. Clin.Invest., 13, 351 (1983),
  • [1]. W L Duax, et al. Steroid Dehydrogenase Structures, Mechanism of Action, and Disease. Vitam Horm. 2000;58:121-48.
  • [1]. W L Duax, et al. Steroid Dehydrogenase Structures, Mechanism of Action, and Disease. Vitam Horm. 2000;58:121-48.
  • [2]. Hossein Hosseinzadeh, et al. Anticonvulsant, Sedative and Muscle Relaxant Effects of Carbenoxolone in Mice. BMC Pharmacol. 2003 Apr 29;3:3.
  • [3]. Ismar R Haga, et al. Carbenoxolone-medi

安全信息

WGK Germany3
GHS Symbol
Precautionary statements
  • P305+P351+P338
Signal word Warning
Hazard statements
  • H319 Causes serious eye irritation 严重刺激眼睛
RTECSRK0250000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xi Xn
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
  • S37 Wear suitable gloves 戴适当手套；
Risk Statements
  • R36 Irritating to eyes 刺激眼睛
  • R22 Harmful if swallowed 吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Storage condition +4°C 2-8°C 4 4°C, Hygroscopic 4℃ 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 371 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Cardiac - pulse rate
REFERENCE :
   OYYAA2 Oyo Yakuri.  Pharmacometrics.  (Oyo Yakuri Kenkyukai, CPO Box 180,
   Sendai 980-91, Japan) V.1-    1967-  Volume(issue)/page/year: 11,263,1976

{h

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 92 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FRMCE8 Farmaco. (Societa Chimica Italiana, Corso Strada Nova, 86, Casella
   Postale 227, 27100 Pavia, Italy)  V.44-   1989-  Volume(issue)/page/year:
   49,281,1994

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 1060 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Behavioral - tremor
REFERENCE :
   OYYAA2 Oyo Yakuri.  Pharmacometrics.  (Oyo Yakuri Kenkyukai, CPO Box 180,
   Sendai 980-91, Japan) V.1-    1967-  Volume(issue)/page/year: 11,263,1976

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 2 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   21NDAB "Symposium on Carbenoxolone Sodium," Robson, J.M., and F.M. Sullivan,
   eds., London, Butterworth, 1968  Volume(issue)/page/year: -,6,1968

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human
DOSE/DUR

其他信息

  • 急性毒性:口服-大鼠 LD50: 2450 毫克/公斤; 腹腔-小鼠 LD50: 120 毫克/公斤
  • Sigma Aldrich:7421-40-1(sigmaaldrich)
  • 毒性分级:中毒
  • 储运特性:库房低温通风干燥
  • 灭火剂:水, 二氧化碳, 泡沫, 干粉
  • 可燃性危险特性:热分解排出有毒氧化钠烟雾
  • 类别:有毒物质
  • MOL 文件:7421-40-1.mol

系列性分类

  1. Chemical Synthesis 化学合成
  2. Asymmetric Synthesis 不对称合成
  3. Chiral Building Blocks 手性分子砌块
  4. Complex Molecules - Chiral Building Blocks
  1. Chemical Synthesis 化学合成
  2. Asymmetric Synthesis 不对称合成
  3. Chiral Building Blocks 手性分子砌块
  4. Complex Molecules - Chiral Building Blocks
  1. Functional Group 官能团索引
  2. carboxylic acid salt
  1. Medical Research Areas
  2. Cytosketetal Signaling
  3. Gap Junction Protein  (间隙连接蛋白)

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