Actinomycin E1

CAS 1402-41-1 MFCD01769209

化学结构图

1402-41-1
SMILES: CC[C@H](C)[C@H]1C(=O)O[C@H](C)[C@H](NC(=O)c2ccc(C)c3oc4c(C)c(=O)c(N)c(C(=O)N[C@@H]5C(=O)N[C@H]([C@@H](C)CC)C(=O)N6CCC[C@H]6C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]5C)c-4nc23)C(=O)N[C@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)N(C)CC(=O)N1C

化学属性

Mol. Weight1289.72
Mol. FormulaC64H96N12O16

别名和识别编码

InChIKeySJAVOZCXHQSWGO-OWKXVAKSSA-N
Chemical NameActinomycin E1
CAS Number1402-41-1
PubChem Substance ID71300962
InChIInChI=1S/C65H92N12O16/c1-17-31(6)45-62(87)77-27-21-23-40(77)61(86)73(14)29-42(79)75(16)52(33(8)19-3)65(90)92-36(11)47(58(83)68-45)70-56(81)38-25-24-34(9)54-49(38)67-50-43(44(66)53(80)35(10)55(50)93-54)57(82)71-48-37(12)91-64(89)51(30(4)5)74(15)41(78)28-72(13)60(85)39-22-20-26-76(39)63(88)46(32(7)18-2)69-59(48)84/h24-25,30-33,36-37,39-40,45-48,51-52H,17-23,26-29,66H2,1-16H3,(H,68,83)(H,69,84)(H,70,81)(H,71,82)/t31-,32-,33-,36+,37+,39-,40-,45+,46+,47-,48-,51-,52-/m0/s1
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安全信息

RTECSAU1631000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- ,  Berdy, J., Boca
   Raton, FL, CRC Press, 1980-  Volume(issue)/page/year: 4(2),67,1980

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1000 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   38KLAC "Structure-Activity Relationship among the Semisynthetic
   Antibiotics,"  Perlman, D., ed., New York, Academic Press, 1977
   Volume(issue)/page/year: -,427,1977

系列性分类

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