Mesaconitine 中乌头碱

CAS 2752-64-9 MFCD00210528

化学结构图

2752-64-9
SMILES: COC[C@]12CN(C)C3[C@@H]4[C@H](OC)[C@H]1[C@@]3([C@@H](OC)C[C@H]2O)[C@@H]1C[C@]2(O)[C@@H](OC)[C@H](O)[C@@]4(OC(C)=O)[C@H]1[C@H]2OC(=O)c1ccccc1

化学属性

Mol. FormulaC33 H45 N O11
Mol. Weight631.71
Density1.39
Melting Point209-210

别名和识别编码

Chemical NameMesaconitine
CAS Number2752-64-9
Synonym (1?,3?,6?,14?,15?,16?)-1,6,16-Trimethoxy-4-(methoxymethyl)-20-methyl-aconitane-3,8,13,14,15-pentol 8-Acetate 14-Benzoate (1a,3a,6a,14a,15a,16ß)-1,6,16-Trimethoxy-4-(methoxymethyl)-20-methyl-aconitane-3,8,13,14,15-pentol 8-acetate 14-benzoate Mesaconitine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {TRC} NSC 77210 中乌头碱; 新乌头碱 新乌头碱;
EC Number220-397-6
Chemical Name Translation中乌头碱
PubChem Substance ID441747
InChIInChI=1S/C33H45NO11/c1-16(35)45-33-21-18(13-31(39,28(43-6)26(33)37)27(21)44-29(38)17-10-8-7-9-11-17)32-20(41-4)12-19(36)30(15-40-3)14-34(2)25(32)22(33)23(42-5)24(30)32/h7-11,18-28,36-37,39H,12-15H2,1-6H3/t18-,19-,20+,21-,22+,23+,24-,25?,26+,27-,28+,30+,31-,32+,33-/m1/s1
MDL NumberMFCD00210528
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分类

  • Pharmaceuticals
  • Intermediates & Fine Chemicals

产品应用

  • An Aconitine (A189875) analog. Aconitine alkaloid pharmacokinetic analgesic. A highly poisonous, neurotoxic alkaloid.

相关文献及参考

  • Li, M., et al.: J. Pharm. Biomed. Anal., 53, 1063 (2010),
  • Yan, G., et al.: J. Pharm. Biomed. Anal., 53, 421 (2010),

安全信息

RTECSAR5563000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 204 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JJTOEX Japanese Journal of Toxicology. (Yakugyo Jihosha, Hokushin Bldg.,
   2-36 Jinbo-cho, Kanda, Chiyoda-ku, Tokyo, 101, Japan)  V.1-   1988-
   Volume(issue)/page/year: 2,225,1989

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JJTOEX Japanese Journal of Toxicology. (Yakugyo Jihosha, Hokushin Bldg.,
   2-36 Jinbo-cho, Kanda, Chiyoda-ku, Tokyo, 101, Japan)  V.1-   1988-
   Volume(issue)/page/year: 2,225,1989

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Mammal - cat
DOSE/DURATION           : 80 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   YAKUD5 Gekkan Yakuji.  Pharmaceuticals Monthly.  (Yakugyo Jihosha, Inaoka
   Bldg., 2-36 Jinbo-cho, Kanda, Chiyoda-ku, Tokyo 101, Japan)  V.1-   1959-
   Volume(issue)/page/year: 23,873,1981

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 40 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   YAKUD5 Gekkan Yakuji.  Pharmaceuticals Monthly.  (Yakugyo Jihosha, Inaoka
   Bldg., 2-36 Jinbo-cho, Kanda, Chiyoda-ku, Tokyo 101, Japan)  V.1-   1959-
   Volume(issue)/page/year: 23,873,1981

TYPE OF TEST            : LD50

GHS Symbol
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
Precautionary statements
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
Storage condition +4°C

系列性分类

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