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Substance Name: Tallysomycin S1b copper complex
RN: 77368-73-1
InChIKey: IOXGXLCGVCYVSJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C58-H89-Cu-N19-O26-S2

Molecular Weight

  • 1532.5801
 
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Names and Synonyms

Results Name

  • Tallysomycin S1b copper complex

Synonym

  • Tallysomycin S(sub 1b) copper complex

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 77368-73-1

System Generated Number

  • 0077368731

Structure Descriptors

InChI

1S/C58H89N19O26S2/c1-17-32(74-47(76-45(17)63)22(8-29(61)82)68-10-21(60)46(64)91)49(93)75-34(42(23-11-66-16-69-23)100-57-44(38(87)35(84)27(12-78)99-57)101-56-40(89)43(102-58(65)96)36(85)28(13-79)98-56)51(95)70-18(2)26(81)9-30(83)73-33(19(3)80)50(94)77-52(103-55-39(88)37(86)31(62)20(4)97-55)41(90)54-72-25(15-105-54)53-71-24(14-104-53)48(92)67-7-5-6-59/h11,14-16,18-22,26-28,31,33-44,52,55-57,68,78-81,84-90H,5-10,12-13,59-60,62H2,1-4H3,(H2,61,82)(H2,64,91)(H2,65,96)(H,66,69)(H,67,92)(H,70,95)(H,73,83)(H,75,93)(H,77,94)(H2,63,74,76)

InChIKey

IOXGXLCGVCYVSJ-UHFFFAOYSA-N

Smiles

Cc1c(nc(nc1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(c2cnc[nH]2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(CC(=O)NC(C(C)O)C(=O)NC(C(c5nc(cs5)c6nc(cs6)C(=O)NCCCN)O)OC7C(C(C(C(O7)C)N)O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 19mg/kg (19mg/kg)   Journal of Antibiotics. Vol. 34, Pg. 658, 1981.