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Substance Name: Actinomycin D, 7-((3,4-dichlorobenzyl)amino)-
RN: 67230-61-9
InChIKey: GPHHXPJPPIWPPT-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C69-H91-Cl2-N13-O16

Molecular Weight

  • 1429.46
 
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Names and Synonyms

Synonyms

  • 7-((3,4-Dichlorobenzyl)amino)-actinomycin D
  • Actinomycin D, 7-(((3,4-dichlorophenyl)methyl)amino)-
  • BRN 5920003

Systematic Name

  • Actinomycin D, 7-((3,4-dichlorobenzyl)amino)-

Registry Numbers

CAS Registry Number

  • 67230-61-9

System Generated Number

  • 0067230619

Structure Descriptors

InChI

1S/C69H91Cl2N13O16/c1-30(2)49-66(94)83-23-17-19-43(83)64(92)79(13)28-45(85)81(15)55(32(5)6)68(96)98-36(11)51(62(90)75-49)77-60(88)39-26-42(73-27-38-21-22-40(70)41(71)25-38)34(9)58-53(39)74-54-47(48(72)57(87)35(10)59(54)100-58)61(89)78-52-37(12)99-69(97)56(33(7)8)82(16)46(86)29-80(14)65(93)44-20-18-24-84(44)67(95)50(31(3)4)76-63(52)91/h21-22,25-26,30-33,36-37,43-44,49-52,55-56,73H,17-20,23-24,27-29,72H2,1-16H3,(H,75,90)(H,76,91)(H,77,88)(H,78,89)

InChIKey

GPHHXPJPPIWPPT-UHFFFAOYSA-N

Smiles

c1(cc(Cl)c(cc1)Cl)CNc1cc(c2nc3c(oc2c1C)c(c(c(c3C(N[C@@H]1C(N[C@@H](C(N2[C@@H](C(N(CC(N([C@@H](C(O[C@@H]1C)=O)C(C)C)C)=O)C)=O)CCC2)=O)C(C)C)=O)=O)N)=O)C)C(=O)N[C@@H]1C(=O)N[C@@H](C(N2[C@@H](C(N(C)CC(N([C@@H](C(C)C)C(=O)O[C@@H]1C)C)=O)=O)CCC2)=O)C(C)C