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Substance Name: Bleomycin A5 hydrochloride
RN: 55658-47-4
InChIKey: NRVKJXFKQWUKCB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C57-H89-N19-O21-S2.x-Cl-H

Molecular Weight

  • 1477.04
 
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Names and Synonyms

Results Name

  • Bleomycin A5 hydrochloride

Synonyms

  • Bleomycin A5 HCl
  • Bleomycin A5 hydrochloride
  • N1-(3-((4-Aminobutyl)amino)propyl)bleomycinamide hydrochloride

Systematic Name

  • Bleomycinamide, N(sup 1)-(3-((4-aminobutyl)amino)propyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 55658-47-4

Other Registry Number

  • 70502-64-6

Related Registry Number

  • 11116-32-8 (Parent)

System Generated Number

  • 0055658474

Molecular Formulas

Molecular Formula

  • C57-H89-N19-O21-S2.x-Cl-H

Molecular Formula Fragments

  • C57-H89-N19-O21-S2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C57H89N19O21S2.ClH/c1-22-35(73-48(76-46(22)61)27(14-33(60)80)68-15-26(59)47(62)86)52(90)75-37(43(28-16-65-21-69-28)95-56-45(41(84)39(82)31(17-77)94-56)96-55-42(85)44(97-57(63)92)40(83)32(18-78)93-55)53(91)70-24(3)38(81)23(2)49(87)74-36(25(4)79)51(89)67-13-8-34-71-30(20-98-34)54-72-29(19-99-54)50(88)66-12-7-11-64-10-6-5-9-58;/h16,19-21,23-27,31-32,36-45,55-56,64,68,77-79,81-85H,5-15,17-18,58-59H2,1-4H3,(H2,60,80)(H2,62,86)(H2,63,92)(H,65,69)(H,66,88)(H,67,89)(H,70,91)(H,74,87)(H,75,90)(H2,61,73,76);1H

InChIKey

NRVKJXFKQWUKCB-UHFFFAOYSA-N

Smiles

c1(nc(C(=O)N[C@@H]([C@@H](O[C@@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O[C@@H]2O[C@@H]([C@@H]([C@@H]([C@@H]2O)OC(=O)N)O)CO)c2[nH]cnc2)C(N[C@@H]([C@@H]([C@@H](C(N[C@@H](C(NCCc2scc(n2)c2scc(n2)C(NCCCNCCCCN)=O)=O)[C@@H](C)O)=O)C)O)C)=O)c(C)c(n1)N)[C@@H](NC[C@@H](N)C(=O)N)CC(=O)N.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 66mg/kg (66mg/kg)   Antibiotiki. Vol. 24, Pg. 363, 1979.
mouse LD50 intravenous 50mg/kg (50mg/kg)   Antibiotiki. Vol. 24, Pg. 175, 1979.
mouse LD50 oral 800mg/kg (800mg/kg)   Antibiotiki. Vol. 24, Pg. 363, 1979.
mouse LD50 subcutaneous 67mg/kg (67mg/kg)   Antibiotiki. Vol. 24, Pg. 363, 1979.
rat LD50 intramuscular 102mg/kg (102mg/kg)   Antibiotiki. Vol. 24, Pg. 363, 1979.
rat LD50 intraperitoneal 117mg/kg (117mg/kg)   Antibiotiki. Vol. 24, Pg. 363, 1979.
rat LD50 intravenous 75mg/kg (75mg/kg)   Antibiotiki. Vol. 24, Pg. 363, 1979.