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Substance Name: 7-(2,3-Epoxypropoxy)actinomycin D
RN: 82830-18-0
InChIKey: FLERDIDECREGNJ-UHFFFAOYSA-N

Note

  • Binds to DNA.

Molecular Formula

  • C65-H90-N12-O18

Molecular Weight

  • 1327.49
 
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Names and Synonyms

Name of Substance

  • 7-(2,3-Epoxypropoxy)actinomycin D

Synonym

  • (+-)-2,3-Epoxypropoxyactinomycin D

Systematic Name

  • Actinomycin D, 7-(oxiranylmethoxy)-

Registry Numbers

CAS Registry Number

  • 82830-18-0

System Generated Number

  • 0082830180

Structure Descriptors

InChI

1S/C65H90N12O18/c1-28(2)45-62(87)76-21-17-19-38(76)60(85)72(13)24-41(78)74(15)51(30(5)6)64(89)93-34(11)47(58(83)68-45)70-56(81)37-23-40(92-27-36-26-91-36)32(9)54-49(37)67-50-43(44(66)53(80)33(10)55(50)95-54)57(82)71-48-35(12)94-65(90)52(31(7)8)75(16)42(79)25-73(14)61(86)39-20-18-22-77(39)63(88)46(29(3)4)69-59(48)84/h23,28-31,34-36,38-39,45-48,51-52H,17-22,24-27,66H2,1-16H3,(H,68,83)(H,69,84)(H,70,81)(H,71,82)

InChIKey

FLERDIDECREGNJ-UHFFFAOYSA-N

Smiles

O1C[C@@H]1COc1c(C)c2c(c(c1)C(N[C@@H]1[C@@H](OC([C@@H](N(C(CN(C([C@@H]3N(C([C@@H](NC1=O)C(C)C)=O)CCC3)=O)C)=O)C)C(C)C)=O)C)=O)nc1c(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)c(c(c(c1o2)C)=O)N