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Substance Name: Tallysomycin S11a copper complex
RN: 77368-67-3
InChIKey: JOUZMHNMGBYITL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C65-H103-Cu-N21-O27-S2

Molecular Weight

  • 1674.7807
 
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Names and Synonyms

Results Name

  • Tallysomycin S11a copper complex

Synonym

  • Tallysomycin S(sub 11a) copper complex

Systematic Name

  • Bleomycinamide, 13-((4-amino-4,6-dideoxy-alpha-L-talopyranosyl)oxy)-N(sup 1)-(4-amino-5((3-(methylamino)propyl)carbamoyl)pentyl)-19-demethyl-12-hydroxy-, copper complex

Registry Numbers

CAS Registry Number

  • 77368-67-3

System Generated Number

  • 0077368673

Structure Descriptors

InChI

1S/C65H103N21O27S2/c1-22-39(83-54(85-52(22)70)28(13-35(68)91)77-15-27(67)53(71)101)56(103)84-41(49(29-16-74-21-78-29)110-64-51(45(97)42(94)33(17-87)109-64)111-63-47(99)50(112-65(72)106)43(95)34(18-88)108-63)58(105)79-23(2)32(90)14-37(93)82-40(24(3)89)57(104)86-59(113-62-46(98)44(96)38(69)25(4)107-62)48(100)61-81-31(20-115-61)60-80-30(19-114-60)55(102)76-10-6-8-26(66)12-36(92)75-11-7-9-73-5/h16,19-21,23-28,32-34,38,40-51,59,62-64,73,77,87-90,94-100H,6-15,17-18,66-67,69H2,1-5H3,(H2,68,91)(H2,71,101)(H2,72,106)(H,74,78)(H,75,92)(H,76,102)(H,79,105)(H,82,93)(H,84,103)(H,86,104)(H2,70,83,85)

InChIKey

JOUZMHNMGBYITL-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)NCCCC(CC(=O)NCCCNC)N)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 18mg/kg (18mg/kg)   Journal of Antibiotics. Vol. 34, Pg. 658, 1981.