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Substance Name: Talisomycin S10b
RN: 76069-32-4
InChIKey: MCUABSGWIRKSSZ-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C59-H91-N19-O26-S2

Molecular Weight

  • 1546.61
 
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Names and Synonyms

Results Name

  • Talisomycin S10b

Synonyms

  • BRN 4325250
  • Talisomycin S(sub 10b)
  • Tallysomycin S(sub 10b)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 76069-32-4

System Generated Number

  • 0076069324

Structure Descriptors

InChI

1S/C59H91N19O26S2/c1-18-33(75-48(77-46(18)64)23(9-30(62)83)69-11-22(61)47(65)92)50(94)76-35(43(24-12-67-17-70-24)101-58-45(39(88)36(85)28(13-79)100-58)102-57-41(90)44(103-59(66)97)37(86)29(14-80)99-57)52(96)71-19(2)27(82)10-31(84)74-34(20(3)81)51(95)78-53(104-56-40(89)38(87)32(63)21(4)98-56)42(91)55-73-26(16-106-55)54-72-25(15-105-54)49(93)68-8-6-5-7-60/h12,15-17,19-23,27-29,32,34-45,53,56-58,69,79-82,85-91H,5-11,13-14,60-61,63H2,1-4H3,(H2,62,83)(H2,65,92)(H2,66,97)(H,67,70)(H,68,93)(H,71,96)(H,74,84)(H,76,94)(H,78,95)(H2,64,75,77)

InChIKey

MCUABSGWIRKSSZ-UHFFFAOYSA-N

Smiles

c1(scc(n1)C(NCCCCN)=O)c1nc([C@@H]([C@@H](NC(=O)[C@@H]([C@@H](C)O)NC(C[C@@H]([C@@H](NC([C@@H]([C@@H](c2[nH]cnc2)O[C@@H]2[C@@H]([C@@H]([C@@H]([C@@H](CO)O2)O)O)O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]([C@@H]2O)OC(N)=O)NC(c2c(c(nc(n2)[C@@H](NC[C@@H](C(N)=O)N)CC(N)=O)N)C)=O)=O)C)O)=O)O[C@@H]2[C@@H](O)[C@@H](O)[C@@H]([C@@H](C)O2)N)O)sc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 42mg/kg (42mg/kg)   Journal of Antibiotics. Vol. 34, Pg. 658, 1981.
mouse LD50 intravenous 104mg/kg (104mg/kg)   Drug and Chemical Toxicology. Vol. 7, Pg. 259, 1984.
mouse LD50 intravenous 104mg/kg (104mg/kg) KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)" Drug and Chemical Toxicology. Vol. 7, Pg. 259, 1984.