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Substance Name: Bleomycetin
RN: 11116-32-8
UNII: 5DY91Y7601
InChIKey: QYOAUOAXCQAEMW-DDZPZTJXSA-N

Classification Codes

  • Antibiotics, Antineoplastic
  • Antineoplastic Agents
  • Drug / Therapeutic Agent
  • Human Data
  • Mutation Data

Molecular Formula

  • C57-H89-N19-O21-S2

Molecular Weight

  • 1440.5741
 
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Names and Synonyms

Name of Substance

  • Bleomycetin

Synonyms

  • Bleomycetin
  • Bleomycin A5
  • EINECS 234-357-0
  • N1-(3-((4-Aminobutyl)amino)propyl)bleomycinamide
  • NSC 350895
  • Pingyangmycin
  • Pingyangmycin [Chinese]
  • UNII-5DY91Y7601
  • Zhengguangmycin A5
  • Zhengguangmycin A5 [Chinese]

Systematic Name

  • Bleomycinamide, N1-(3-((4-aminobutyl)amino)propyl)-

Registry Numbers

CAS Registry Number

  • 11116-32-8

FDA UNII

  • 5DY91Y7601

Related Registry Number

  • 55658-47-4 (hydrochloride)

System Generated Number

  • 0011116328

Structure Descriptors

InChI

1S/C57H89N19O21S2/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)/t23-,24+,25+,26-,27-,31-,32+,36-,37-,38-,39+,40+,41-,42-,43-,44-,45-,55-,56-/m0/s1

InChIKey

QYOAUOAXCQAEMW-DDZPZTJXSA-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)NCCCNCCCCN

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human TDLo unreported 192mg/kg (192mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Antibiotiki. Vol. 28, Pg. 632, 1983.