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Substance Name: Actinomycin D, 7-((3,4-dichlorophenyl)methoxy)-
RN: 78542-31-1
InChIKey: NSRBDWLIVSCBSR-UHFFFAOYSA-N

Molecular Formula

  • C69-H90-Cl2-N12-O17

Molecular Weight

  • 1430.44
 
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Names and Synonyms

Synonym

  • 7-((3,4-Dichlorophenyl)methoxy)actinomycin D

Systematic Name

  • Actinomycin D, 7-((3,4-dichlorophenyl)methoxy)-

Registry Numbers

CAS Registry Number

  • 78542-31-1

System Generated Number

  • 0078542311

Structure Descriptors

InChI

1S/C69H90Cl2N12O17/c1-30(2)49-66(93)82-23-17-19-42(82)64(91)78(13)27-45(84)80(15)55(32(5)6)68(95)98-36(11)51(62(89)74-49)76-60(87)39-26-44(97-29-38-21-22-40(70)41(71)25-38)34(9)58-53(39)73-54-47(48(72)57(86)35(10)59(54)100-58)61(88)77-52-37(12)99-69(96)56(33(7)8)81(16)46(85)28-79(14)65(92)43-20-18-24-83(43)67(94)50(31(3)4)75-63(52)90/h21-22,25-26,30-33,36-37,42-43,49-52,55-56H,17-20,23-24,27-29,72H2,1-16H3,(H,74,89)(H,75,90)(H,76,87)(H,77,88)

InChIKey

NSRBDWLIVSCBSR-UHFFFAOYSA-N

Smiles

c1(ccc(c(c1)Cl)Cl)COc1c(c2c(c(C(N[C@@H]3[C@@H](OC([C@@H](N(C(CN(C(=O)[C@@H]4N(C([C@@H](NC3=O)C(C)C)=O)CCC4)C)=O)C)C(C)C)=O)C)=O)c1)nc1c(C(N[C@@H]3[C@@H](OC([C@@H](N(C(CN(C(=O)[C@@H]4N(C([C@@H](NC3=O)C(C)C)=O)CCC4)C)=O)C)C(C)C)=O)C)=O)c(c(c(c1o2)C)=O)N)C