Aspartocin

CAS 4117-65-1 MFCD00865103

化学结构图

4117-65-1
SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CC(N)=O)NC1=O

化学属性

Mol. FormulaC42H64N12O12S2
Mol. Weight993.30

别名和识别编码

Chemical NameOxytocin, 4-L-asparagine-
Synonym 4-Asparagine oxytocin Aspartocin
CAS Number4117-65-1
PubChem Substance ID11954294
InChIInChI=1S/C42H64N12O12S2/c1-5-21(4)34-41(65)51-28(16-32(45)57)37(61)49-27(15-31(44)56)38(62)52-29(19-68-67-18-24(43)35(59)48-26(39(63)53-34)14-22-8-10-23(55)11-9-22)42(66)54-12-6-7-30(54)40(64)50-25(13-20(2)3)36(60)47-17-33(46)58/h8-11,20-21,24-30,34,55H,5-7,12-19,43H2,1-4H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,47,60)(H,48,59)(H,49,61)(H,50,64)(H,51,65)(H,52,62)(H,53,63)/t21-,24-,25-,26-,27-,28-,29-,30-,34-/m0/s1
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安全信息

RTECSRS7535000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 120 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85FZAT "Index of Antibiotics from Actinomycetes," Umezawa, H. et al., eds.,
   Tokyo, Univ. of Tokyo Press, 1967  Volume(issue)/page/year: -,154,1967

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 110 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85FZAT "Index of Antibiotics from Actinomycetes," Umezawa, H. et al., eds.,
   Tokyo, Univ. of Tokyo Press, 1967  Volume(issue)/page/year: -,154,1967

系列性分类

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