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Substance Name: Actinomycin D, N-(5-aminopentyl)-, hydrate
RN: 78542-42-4
InChIKey: SQSDQKMGXJZICD-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C67-H97-N13-O16.H2-O

Molecular Weight

  • 1340.5783
 
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Names and Synonyms

Synonym

  • N-(5-Aminopentyl)actinomycin D hydrate

Systematic Name

  • Actinomycin D, N-(5-aminopentyl)-, hydrate

Registry Numbers

CAS Registry Number

  • 78542-42-4

System Generated Number

  • 0078542424

Molecular Formulas

Molecular Formula

  • C67-H97-N13-O16.H2-O

Molecular Formula Fragments

  • C67-H97-N13-O16
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C67H97N13O16/c1-32(2)46-64(90)79-28-20-22-41(79)62(88)75(13)30-43(81)77(15)53(34(5)6)66(92)94-38(11)48(60(86)71-46)73-58(84)40-25-24-36(9)56-50(40)70-52-45(51(69-27-19-17-18-26-68)55(83)37(10)57(52)96-56)59(85)74-49-39(12)95-67(93)54(35(7)8)78(16)44(82)31-76(14)63(89)42-23-21-29-80(42)65(91)47(33(3)4)72-61(49)87/h24-25,32-35,38-39,41-42,46-49,53-54,69H,17-23,26-31,68H2,1-16H3,(H,71,86)(H,72,87)(H,73,84)(H,74,85)

InChIKey

SQSDQKMGXJZICD-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)NCCCCCN)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