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Substance Name: Actinomycin F4
RN: 1402-47-7
InChIKey: QZHOBUKTWCTIMK-NVJDOSFMSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C61-H92-N12-O16

Molecular Weight

  • 1257.4452
 
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Names and Synonyms

  • Actinomycin F4

Registry Numbers

CAS Registry Number

  • 1402-47-7

System Generated Number

  • 0001402477

Structure Descriptors

InChI

1S/C62H88N12O16/c1-18-30(7)43-59(84)71(15)25-38(75)69(13)26-39(76)72(16)49(28(3)4)61(86)88-34(11)45(56(81)65-43)67-54(79)36-23-22-32(9)52-47(36)64-48-41(42(63)51(78)33(10)53(48)90-52)55(80)68-46-35(12)89-62(87)50(29(5)6)73(17)40(77)27-70(14)58(83)37-21-20-24-74(37)60(85)44(31(8)19-2)66-57(46)82/h22-23,28-31,34-35,37,43-46,49-50H,18-21,24-27,63H2,1-17H3,(H,65,81)(H,66,82)(H,67,79)(H,68,80)/t30-,31-,34+,35+,37-,43+,44+,45-,46-,49-,50-/m0/s1

InChIKey

QZHOBUKTWCTIMK-NVJDOSFMSA-N

Smiles

CC[C@H](C)[C@@H]1C(=O)N(CC(=O)N(CC(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)c2ccc(c3c2nc-4c(c(c(=O)c(c4o3)C)N)C(=O)N[C@H]5[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]6CCCN6C(=O)[C@H](NC5=O)[C@@H](C)CC)C)C)C(C)C)C)C)C)C(C)C)C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 5mg/kg (5mg/kg)   "Structure-Activity Relationship among the Semisynthetic Antibiotics," Perlman, D., ed., New York, Academic Press, 1977Vol. -, Pg. 427, 1977.