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Substance Name: Dimethylaminopropylamino bleomycin
RN: 62841-15-0
InChIKey: RORCPTXQMQGYBR-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C55-H84-N18-O21-S2

Molecular Weight

  • 1397.5056
 
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Names and Synonyms

Name of Substance

  • Dimethylaminopropylamino bleomycin

Synonyms

  • Dimethylaminopropylamino bleomycin
  • DMP-blm
  • N(sup 1)-(3-(Dimethylamino)propyl)bleomycinamide

Systematic Name

  • Bleomycinamide, N(sup 1)-(3-(dimethylamino)propyl)-

Registry Numbers

CAS Registry Number

  • 62841-15-0

System Generated Number

  • 0062841150

Structure Descriptors

InChI

1S/C55H84N18O21S2/c1-20-33(69-46(72-44(20)58)25(12-31(57)77)64-13-24(56)45(59)83)50(87)71-35(41(26-14-61-19-65-26)92-54-43(39(81)37(79)29(15-74)91-54)93-53-40(82)42(94-55(60)89)38(80)30(16-75)90-53)51(88)66-22(3)36(78)21(2)47(84)70-34(23(4)76)49(86)63-10-8-32-67-28(18-95-32)52-68-27(17-96-52)48(85)62-9-7-11-73(5)6/h14,17-19,21-25,29-30,34-43,53-54,64,74-76,78-82H,7-13,15-16,56H2,1-6H3,(H2,57,77)(H2,59,83)(H2,60,89)(H,61,65)(H,62,85)(H,63,86)(H,66,88)(H,70,84)(H,71,87)(H2,58,69,72)

InChIKey

RORCPTXQMQGYBR-UHFFFAOYSA-N

Smiles

Cc1c(nc(nc1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(c2cnc[nH]2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCN(C)C)O