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Substance Name: Actinomycin D, N-(4-aminobutyl)-, dihydrate
RN: 78542-41-3
InChIKey: KTSJXVOCNWGOBA-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C66-H95-N13-O16.2H2-O

Molecular Weight

  • 1326.5515
 
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Names and Synonyms

Synonym

  • N-(4-Aminobutyl)actinomycin D dihydrate

Systematic Name

  • Actinomycin D, N-(4-aminobutyl)-, dihydrate

Registry Numbers

CAS Registry Number

  • 78542-41-3

System Generated Number

  • 0078542413

Molecular Formulas

Molecular Formula

  • C66-H95-N13-O16.2H2-O

Molecular Formula Fragments

  • C66-H95-N13-O16
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C66H95N13O16/c1-31(2)45-63(89)78-27-19-21-40(78)61(87)74(13)29-42(80)76(15)52(33(5)6)65(91)93-37(11)47(59(85)70-45)72-57(83)39-24-23-35(9)55-49(39)69-51-44(50(68-26-18-17-25-67)54(82)36(10)56(51)95-55)58(84)73-48-38(12)94-66(92)53(34(7)8)77(16)43(81)30-75(14)62(88)41-22-20-28-79(41)64(90)46(32(3)4)71-60(48)86/h23-24,31-34,37-38,40-41,45-48,52-53,68H,17-22,25-30,67H2,1-16H3,(H,70,85)(H,71,86)(H,72,83)(H,73,84)

InChIKey

KTSJXVOCNWGOBA-UHFFFAOYSA-N

Smiles

Cc1ccc(c2c1oc-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)NCCCCN)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