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Substance Name: Actinomycin D, 7-butoxy-, trihydrate
RN: 78542-26-4
InChIKey: KUVZFJYQNKRFNW-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C66-H94-N12-O17.3H2-O

Molecular Weight

  • 1327.5356
 
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Names and Synonyms

Synonym

  • 7-Butoxyactinomycin D trihydrate

Systematic Name

  • Actinomycin D, 7-butoxy-, trihydrate

Registry Numbers

CAS Registry Number

  • 78542-26-4

System Generated Number

  • 0078542264

Molecular Formulas

Molecular Formula

  • C66-H94-N12-O17.3H2-O

Molecular Formula Fragments

  • C66-H94-N12-O17
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C66H94N12O17/c1-18-19-26-92-41-27-38(57(82)71-48-36(12)93-65(90)52(32(6)7)75(16)42(79)28-73(14)61(86)39-22-20-24-77(39)63(88)46(30(2)3)69-59(48)84)50-55(34(41)10)95-56-35(11)54(81)45(67)44(51(56)68-50)58(83)72-49-37(13)94-66(91)53(33(8)9)76(17)43(80)29-74(15)62(87)40-23-21-25-78(40)64(89)47(31(4)5)70-60(49)85/h27,30-33,36-37,39-40,46-49,52-53H,18-26,28-29,67H2,1-17H3,(H,69,84)(H,70,85)(H,71,82)(H,72,83)

InChIKey

KUVZFJYQNKRFNW-UHFFFAOYSA-N

Smiles

CCCCOc1cc(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