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Substance Name: Actinomycin D, 7-((3,4-dichlorobenzoyl)oxy)-
RN: 78542-34-4
InChIKey: CSKWBIWVOXQMNV-UHFFFAOYSA-N

Molecular Formula

  • C69-H88-Cl2-N12-O18

Molecular Weight

  • 1444.4262
 
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Names and Synonyms

Synonym

  • 7-((3,4-Dichlorobenzoyl)oxy)actinomycin D

Systematic Name

  • Actinomycin D, 7-((3,4-dichlorobenzoyl)oxy)-

Registry Numbers

CAS Registry Number

  • 78542-34-4

System Generated Number

  • 0078542344

Structure Descriptors

InChI

1S/C69H88Cl2N12O18/c1-29(2)48-65(93)82-23-17-19-41(82)63(91)78(13)27-44(84)80(15)54(31(5)6)68(96)98-35(11)50(61(89)74-48)76-59(87)38-26-43(100-67(95)37-21-22-39(70)40(71)25-37)33(9)57-52(38)73-53-46(47(72)56(86)34(10)58(53)101-57)60(88)77-51-36(12)99-69(97)55(32(7)8)81(16)45(85)28-79(14)64(92)42-20-18-24-83(42)66(94)49(30(3)4)75-62(51)90/h21-22,25-26,29-32,35-36,41-42,48-51,54-55H,17-20,23-24,27-28,72H2,1-16H3,(H,74,89)(H,75,90)(H,76,87)(H,77,88)

InChIKey

CSKWBIWVOXQMNV-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(=O)c8ccc(c(c8)Cl)Cl