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Substance Name: Tallysomycin S11b copper complex
RN: 77368-77-5
InChIKey: CVLZYFXMGKWINC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C59-H91-Cu-N19-O26-S2

Molecular Weight

  • 1546.6069
 
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Names and Synonyms

Results Name

  • Tallysomycin S11b copper complex

Synonym

  • Tallysomycin S(sub 11b) copper complex

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 77368-77-5

System Generated Number

  • 0077368775

Structure Descriptors

InChI

1S/C59H91N19O26S2/c1-18-33(75-48(77-46(18)63)23(9-30(61)83)69-11-22(60)47(64)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(65)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(62)21(4)98-56)42(91)55-73-26(16-106-55)54-72-25(15-105-54)49(93)68-8-6-7-66-5/h12,15-17,19-23,27-29,32,34-45,53,56-58,66,69,79-82,85-91H,6-11,13-14,60,62H2,1-5H3,(H2,61,83)(H2,64,92)(H2,65,97)(H,67,70)(H,68,93)(H,71,96)(H,74,84)(H,76,94)(H,78,95)(H2,63,75,77)

InChIKey

CVLZYFXMGKWINC-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)NCCCNC)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 21mg/kg (21mg/kg)   Journal of Antibiotics. Vol. 34, Pg. 658, 1981.