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Substance Name: Tallysomycin S6a copper complex
RN: 77368-64-0
InChIKey: QCXCCDYJPYDVBP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C66-H105-Cu-N21-O28-S2

Molecular Weight

  • 1704.8065
 
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Names and Synonyms

Results Name

  • Tallysomycin S6a copper complex

Synonym

  • Tallysomycin S(sub 6a) copper complex

Systematic Name

  • Bleomycinamide, 13-((4-amino-4,6-dideoxy-alpha-L-talopyranosyl)oxy)-N(sup 1)-(4-amino-5-((3-((2-hydroxyethyl)amino)propyl)carbamoyl)pentyl)-19-demethyl-12-hydroxy-, copper complex

Registry Numbers

CAS Registry Number

  • 77368-64-0

System Generated Number

  • 0077368640

Structure Descriptors

InChI

1S/C66H105N21O28S2/c1-23-40(84-55(86-53(23)71)29(14-36(69)93)78-16-28(68)54(72)103)57(105)85-42(50(30-17-75-22-79-30)112-65-52(46(99)43(96)34(18-89)111-65)113-64-48(101)51(114-66(73)108)44(97)35(19-90)110-64)59(107)80-24(2)33(92)15-38(95)83-41(25(3)91)58(106)87-60(115-63-47(100)45(98)39(70)26(4)109-63)49(102)62-82-32(21-117-62)61-81-31(20-116-61)56(104)77-9-5-7-27(67)13-37(94)76-10-6-8-74-11-12-88/h17,20-22,24-29,33-35,39,41-52,60,63-65,74,78,88-92,96-102H,5-16,18-19,67-68,70H2,1-4H3,(H2,69,93)(H2,72,103)(H2,73,108)(H,75,79)(H,76,94)(H,77,104)(H,80,107)(H,83,95)(H,85,105)(H,87,106)(H2,71,84,86)

InChIKey

QCXCCDYJPYDVBP-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)NCCCNCCO)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 15mg/kg (15mg/kg)   Journal of Antibiotics. Vol. 34, Pg. 658, 1981.