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Substance Name: Tallysomycin S3b copper complex
RN: 77368-72-0
InChIKey: NZHOIRNVDWJTQJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C57-H87-Cu-N19-O26-S2

Molecular Weight

  • 1518.5533
 
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Names and Synonyms

Results Name

  • Tallysomycin S3b copper complex

Synonym

  • Tallysomycin S(sub 3b) copper complex

Systematic Name

  • Bleomycinamide, 13-((4-amino-4,6-dideoxy-alpha-L-talopyranosyl)oxy)-N(sup 1)-(2-aminoethyl)-19-demethyl-12-hydroxy-, copper complex

Registry Numbers

CAS Registry Number

  • 77368-72-0

System Generated Number

  • 0077368720

Structure Descriptors

InChI

1S/C57H87N19O26S2/c1-16-31(73-46(75-44(16)62)21(7-28(60)81)67-9-20(59)45(63)90)48(92)74-33(41(22-10-65-15-68-22)99-56-43(37(86)34(83)26(11-77)98-56)100-55-39(88)42(101-57(64)95)35(84)27(12-78)97-55)50(94)69-17(2)25(80)8-29(82)72-32(18(3)79)49(93)76-51(102-54-38(87)36(85)30(61)19(4)96-54)40(89)53-71-24(14-104-53)52-70-23(13-103-52)47(91)66-6-5-58/h10,13-15,17-21,25-27,30,32-43,51,54-56,67,77-80,83-89H,5-9,11-12,58-59,61H2,1-4H3,(H2,60,81)(H2,63,90)(H2,64,95)(H,65,68)(H,66,91)(H,69,94)(H,72,82)(H,74,92)(H,76,93)(H2,62,73,75)

InChIKey

NZHOIRNVDWJTQJ-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)NCCN)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.