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Substance Name: Bleomycin B2
RN: 9060-10-0
UNII: M62KK37O40
InChIKey: NBLHOLNNKJBEDC-XOGQCRKLSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
  • Natural Product

Molecular Formula

  • C55-H84-N20-O21-S2

Molecular Weight

  • 1425.5196
 
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Names and Synonyms

Results Name

  • Bleomycin B2

Name of Substance

  • Bleomycinamide, N1-(4-((aminoiminomethyl)amino)butyl)-

Synonyms

  • Bleomycin B(sub 2)
  • Bleomycin B2
  • BRN 0973538
  • Dehydrophleomycin D1
  • N1-(4-((Aminoiminomethyl)amino)butyl)bleomycinamide
  • Phleomycin D2
  • UNII-M62KK37O40

Systematic Name

  • Bleomycinamide, N(sup 1)-(4-((aminoiminomethyl)amino)butyl)-

Registry Numbers

CAS Registry Number

  • 9060-10-0

FDA UNII

  • M62KK37O40

System Generated Number

  • 0009060100

Structure Descriptors

InChI

1S/C55H84N20O21S2/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/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)/t20-,21+,22+,23-,24-,28-,29+,33-,34-,35-,36+,37+,38-,39-,40-,41-,42-,52+,53-/m0/s1

InChIKey

NBLHOLNNKJBEDC-XOGQCRKLSA-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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intratracheal 14ug/kg (0.014mg/kg) LUNGS, THORAX, OR RESPIRATION: FIBROSIS (INTERSTITIAL) Toxicology and Applied Pharmacology. Vol. 56, Pg. 326, 1980.