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Substance Name: Tallysomycin S2a copper complex
RN: 77368-65-1
InChIKey: OBANNAIFKNMTDV-UHFFFAOYSA-O

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C65-H105-Cu-N20-O27-S3.Cl

Molecular Weight

  • 1706.8665
 
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Names and Synonyms

Results Name

  • Tallysomycin S2a copper complex

Synonym

  • Tallysomycin S(sub 2a) copper complex

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 77368-65-1

System Generated Number

  • 0077368651

Molecular Formulas

Molecular Formula

  • C65-H105-Cu-N20-O27-S3.Cl

Molecular Formula Fragments

  • C65-H105-Cu-N20-O27-S3
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C66H104N20O27S3/c1-23-40(83-55(85-53(23)71)29(14-36(69)91)77-16-28(68)54(72)101)57(103)84-42(50(30-17-74-22-78-30)110-65-52(46(97)43(94)34(18-87)109-65)111-64-48(99)51(112-66(73)106)44(95)35(19-88)108-64)59(105)79-24(2)33(90)15-38(93)82-41(25(3)89)58(104)86-60(113-63-47(98)45(96)39(70)26(4)107-63)49(100)62-81-32(21-115-62)61-80-31(20-114-61)56(102)76-10-7-9-27(67)13-37(92)75-11-8-12-116(5)6/h17,20-22,24-29,33-35,39,41-52,60,63-65,77,87-90,94-100H,7-16,18-19,67-68,70H2,1-6H3,(H14-,69,71,72,73,74,75,76,78,79,82,83,84,85,86,91,92,93,101,102,103,104,105,106)/p+1

InChIKey

OBANNAIFKNMTDV-UHFFFAOYSA-O

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)NCCC[S+](C)C)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 25mg/kg (25mg/kg)   Journal of Antibiotics. Vol. 34, Pg. 658, 1981.