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Substance Name: Actinomycin D, 7-ethoxy-, dihydrate
RN: 78542-24-2
InChIKey: OEKONAHSGJNOEE-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C64-H90-N12-O17.2H2-O

Molecular Weight

  • 1299.482
 
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Names and Synonyms

Synonym

  • 7-Ethoxyactinomycin D dihydrate

Systematic Name

  • Actinomycin D, 7-ethoxy-, dihydrate

Registry Numbers

CAS Registry Number

  • 78542-24-2

System Generated Number

  • 0078542242

Molecular Formulas

Molecular Formula

  • C64-H90-N12-O17.2H2-O

Molecular Formula Fragments

  • C64-H90-N12-O17
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C64H90N12O17/c1-18-90-39-25-36(55(80)69-46-34(12)91-63(88)50(30(6)7)73(16)40(77)26-71(14)59(84)37-21-19-23-75(37)61(86)44(28(2)3)67-57(46)82)48-53(32(39)10)93-54-33(11)52(79)43(65)42(49(54)66-48)56(81)70-47-35(13)92-64(89)51(31(8)9)74(17)41(78)27-72(15)60(85)38-22-20-24-76(38)62(87)45(29(4)5)68-58(47)83/h25,28-31,34-35,37-38,44-47,50-51H,18-24,26-27,65H2,1-17H3,(H,67,82)(H,68,83)(H,69,80)(H,70,81)

InChIKey

OEKONAHSGJNOEE-UHFFFAOYSA-N

Smiles

CCOc1cc(c2c(c1C)oc-3c(c(=O)c(c(c3n2)C(=O)NC4C(OC(=O)C(N(C(=O)CN(C(=O)C5CCCN5C(=O)C(NC4=O)C(C)C)C)C)C(C)C)C)N)C)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C