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Substance Name: Actinomycin D, 7-bromo-
RN: 10030-10-1
InChIKey: ASNFFMPALHLEGT-UHFFFAOYSA-N

Molecular Formula

  • C62-H85-Br-N12-O16

Molecular Weight

  • 1334.33
 
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Names and Synonyms

Synonym

  • 7-Bromoactinomycin D

Systematic Name

  • Actinomycin D, 7-bromo-

Registry Numbers

CAS Registry Number

  • 10030-10-1

System Generated Number

  • 0010030101

Structure Descriptors

InChI

1S/C62H85BrN12O16/c1-26(2)42-59(85)74-21-17-19-36(74)57(83)70(13)24-38(76)72(15)48(28(5)6)61(87)89-32(11)44(55(81)66-42)68-53(79)34-23-35(63)30(9)51-46(34)65-47-40(41(64)50(78)31(10)52(47)91-51)54(80)69-45-33(12)90-62(88)49(29(7)8)73(16)39(77)25-71(14)58(84)37-20-18-22-75(37)60(86)43(27(3)4)67-56(45)82/h23,26-29,32-33,36-37,42-45,48-49H,17-22,24-25,64H2,1-16H3,(H,66,81)(H,67,82)(H,68,79)(H,69,80)

InChIKey

ASNFFMPALHLEGT-UHFFFAOYSA-N

Smiles

c1(=O)c(N)c(c2nc3c(oc2c1C)c(c(cc3C(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)Br)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