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Substance Name: Actinomycin D, 2-chloro-2-deamino- (9CI)
RN: 21392-13-2
InChIKey: MXMWTOJMVNSFGJ-UHFFFAOYSA-N

Molecular Formula

  • C62-H84-Cl-N11-O16

Molecular Weight

  • 1274.86
 
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Names and Synonyms

Synonyms

  • Chloroactinomycin D
  • NSC 268948

Systematic Names

  • Actinomycin D, 2-chloro-2-deamino- (9CI)
  • Actinomycin D, 2-deamino-2-chloro- (8CI)

Registry Numbers

CAS Registry Number

  • 21392-13-2

System Generated Number

  • 0021392132

Structure Descriptors

InChI

1S/C62H84ClN11O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)

InChIKey

MXMWTOJMVNSFGJ-UHFFFAOYSA-N

Smiles

c12c(ccc(C)c1oc1c(c(c(c(C(N[C@@H]3[C@@H](C)OC(=O)[C@@H](N(C(CN(C([C@@H]4N(C([C@@H](C(C)C)NC3=O)=O)CCC4)=O)C)=O)C)C(C)C)=O)c1n2)Cl)=O)C)C(N[C@@H]1[C@@H](OC([C@@H](N(C(CN(C([C@@H]2N(C([C@@H](NC1=O)C(C)C)=O)CCC2)=O)C)=O)C)C(C)C)=O)C)=O