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Substance Name: Tallysomycin B
RN: 65057-91-2
UNII: 17LR410D8A
InChIKey: JBMBADLYKKSXRS-FUATYRKLSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
  • Natural Product

Molecular Formula

  • C62-H98-N20-O26-S2

Molecular Weight

  • 1603.7022
 
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Names and Synonyms

Name of Substance

  • Tallysomycin B

Synonyms

  • Antibiotic BU 2231B
  • BU-2231B
  • Talisomycin B
  • Tallysomycin B
  • UNII-17LR410D8A

Systematic Name

  • Bleomycinamide, N(sup 1)-(3-((4-aminobutyl)amino)propyl)-13-((4-amino-4,6-dideoxy-alpha-L-talopyranosyl)oxy)-19-demethyl-12-hydroxy-

Registry Numbers

CAS Registry Number

  • 65057-91-2

FDA UNII

  • 17LR410D8A

System Generated Number

  • 0065057912

Structure Descriptors

InChI

1S/C62H98N20O26S2/c1-21-36(79-51(81-49(21)67)26(12-33(65)87)73-14-25(64)50(68)96)53(98)80-38(46(27-15-71-20-74-27)105-61-48(42(92)39(89)31(16-83)104-61)106-60-44(94)47(107-62(69)101)40(90)32(17-84)103-60)55(100)75-22(2)30(86)13-34(88)78-37(23(3)85)54(99)82-56(108-59-43(93)41(91)35(66)24(4)102-59)45(95)58-77-29(19-110-58)57-76-28(18-109-57)52(97)72-11-7-10-70-9-6-5-8-63/h15,18-20,22-26,30-32,35,37-48,56,59-61,70,73,83-86,89-95H,5-14,16-17,63-64,66H2,1-4H3,(H2,65,87)(H2,68,96)(H2,69,101)(H,71,74)(H,72,97)(H,75,100)(H,78,88)(H,80,98)(H,82,99)(H2,67,79,81)/t22-,23-,24+,25+,26+,30+,31+,32-,35-,37+,38+,39-,40-,41-,42+,43-,44+,45?,46+,47+,48+,56?,59+,60-,61+/m1/s1

InChIKey

JBMBADLYKKSXRS-FUATYRKLSA-N

Smiles

C[C@@H](O)[C@H](NC(=O)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)NC(O[C@@H]5O[C@@H](C)[C@@H](N)[C@@H](O)[C@H]5O)C(O)c6nc(cs6)c7nc(cs7)C(=O)NCCCNCCCCN

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 46mg/kg (46mg/kg)   Journal of Antibiotics. Vol. 30, Pg. 779, 1977.
mouse LD50 intravenous 30mg/kg (30mg/kg)   Journal of Antibiotics. Vol. 30, Pg. 779, 1977.
mouse LD50 subcutaneous > 50mg/kg (50mg/kg)   United States Patent Document. Vol. #4051237,
mouse LDLo intratracheal 16ug/kg (0.016mg/kg) LUNGS, THORAX, OR RESPIRATION: FIBROSIS (INTERSTITIAL) Toxicology and Applied Pharmacology. Vol. 56, Pg. 326, 1980.