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Substance Name: Actinomycin D, 7-methoxy-, dihydrate
RN: 78542-23-1
InChIKey: HYCRPWANHFBXNP-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C63-H88-N12-O17.2H2-O

Molecular Weight

  • 1285.4552
 
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Names and Synonyms

Synonym

  • 7-Methoxyactinomycin D dihydrate

Systematic Name

  • Actinomycin D, 7-methoxy-, dihydrate

Registry Numbers

CAS Registry Number

  • 78542-23-1

System Generated Number

  • 0078542231

Molecular Formulas

Molecular Formula

  • C63-H88-N12-O17.2H2-O

Molecular Formula Fragments

  • C63-H88-N12-O17
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C63H88N12O17/c1-27(2)43-60(85)74-22-18-20-36(74)58(83)70(13)25-39(76)72(15)49(29(5)6)62(87)90-33(11)45(56(81)66-43)68-54(79)35-24-38(89-17)31(9)52-47(35)65-48-41(42(64)51(78)32(10)53(48)92-52)55(80)69-46-34(12)91-63(88)50(30(7)8)73(16)40(77)26-71(14)59(84)37-21-19-23-75(37)61(86)44(28(3)4)67-57(46)82/h24,27-30,33-34,36-37,43-46,49-50H,18-23,25-26,64H2,1-17H3,(H,66,81)(H,67,82)(H,68,79)(H,69,80)

InChIKey

HYCRPWANHFBXNP-UHFFFAOYSA-N

Smiles

Cc1c(cc(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)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)OC