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Substance Name: Bleomycin B2 sulfate
RN: 51773-86-5
UNII: L321O897RU
InChIKey: CIRWIMDKXPKOMA-WEJIAYKGSA-N

Molecular Formula

  • C55-H84-N20-O21-S2.H2-O4-S

Molecular Weight

  • 1523.5974
 
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Names and Synonyms

Name of Substance

  • Bleomycin B2 sulfate

Synonyms

  • EINECS 257-411-5
  • UNII-L321O897RU

Systematic Name

  • Bleomycinamide, N1-(4-((aminoiminomethyl)amino)butyl)-, sulfate (1:1) (salt)

Registry Numbers

CAS Registry Number

  • 51773-86-5

FDA UNII

  • L321O897RU

System Generated Number

  • 0051773865

Molecular Formulas

Molecular Formula

  • C55-H84-N20-O21-S2.H2-O4-S

Molecular Formula Fragments

  • C55-H84-N20-O21-S2
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/C55H84N20O21S2.H2O4S/c1-19-32(72-45(75-43(19)58)24(11-30(57)79)67-12-23(56)44(59)85)49(89)74-34(40(25-13-63-18-68-25)94-53-42(38(83)36(81)28(14-76)93-53)95-52-39(84)41(96-55(62)91)37(82)29(15-77)92-52)50(90)69-21(3)35(80)20(2)46(86)73-33(22(4)78)48(88)65-10-7-31-70-27(17-97-31)51-71-26(16-98-51)47(87)64-8-5-6-9-66-54(60)61;1-5(2,3)4/h13,16-18,20-24,28-29,33-42,52-53,67,76-78,80-84H,5-12,14-15,56H2,1-4H3,(H2,57,79)(H2,59,85)(H2,62,91)(H,63,68)(H,64,87)(H,65,88)(H,69,90)(H,73,86)(H,74,89)(H2,58,72,75)(H4,60,61,66);(H2,1,2,3,4)/t20-,21+,22+,23-,24-,28-,29+,33-,34-,35-,36+,37+,38-,39-,40-,41-,42-,52+,53-;/m0./s1

InChIKey

CIRWIMDKXPKOMA-WEJIAYKGSA-N

Smiles

C[C@@H](O)[C@H](NC(=O)[C@@H](C)[C@H](O)[C@@H](C)NC(=O)[C@@H](NC(=O)c1nc(nc(N)c1C)[C@H](CC(=O)N)NC[C@H](N)C(=O)N)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]3O[C@H](CO)[C@@H](O)[C@H](OC(=O)N)[C@@H]3O)c4cnc[nH]4)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCCNC(=N)N.OS(=O)(=O)O