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Substance Name: Bleomycin A2 hydrochloride
RN: 49830-49-1
UNII: 26S41LI56J
InChIKey: BODDZCXQPQPRES-OYALTWQYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C55-H84-N17-O21-S3.Cl

Molecular Weight

  • 1451.0176
 
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Names and Synonyms

Results Name

  • Bleomycin A2 hydrochloride

Name of Substance

  • Bleomycin A2 hydrochloride

Synonyms

  • Bleomycin A2 HCl
  • Bleomycin A2 hydrochloride
  • Blocamicina
  • N1-(3-(Dimethylsulfonio)propyl)bleomycinamide chloride
  • NSC 146843
  • UNII-26S41LI56J

Systematic Name

  • Bleomycinamide, N(sup 1)-(3-(dimethylsulfonio)propyl)-, chloride

Registry Numbers

CAS Registry Number

  • 49830-49-1

FDA UNII

  • 26S41LI56J

System Generated Number

  • 0049830491

Molecular Formulas

Molecular Formula

  • C55-H84-N17-O21-S3.Cl

Molecular Formula Fragments

  • C55-H84-N17-O21-S3
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C55H83N17O21S3.ClH/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6;/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88);1H/t21-,22+,23+,24-,25-,29-,30+,34-,35-,36-,37+,38+,39-,40-,41-,42-,43-,53+,54-;/m0./s1

InChIKey

BODDZCXQPQPRES-OYALTWQYSA-N

Smiles

[Cl-].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)c4c[nH]cn4)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCC[S+](C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 51mg/kg (51mg/kg)   Antibiotiki. Vol. 24, Pg. 175, 1979.