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Substance Name: Tallysomycin S8b copper complex
RN: 77368-79-7
InChIKey: VLVFJAPDCSPNKT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C62-H98-Cu-N19-O28-S2

Molecular Weight

  • 1620.6853
 
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Names and Synonyms

Results Name

  • Tallysomycin S8b copper complex

Synonym

  • Tallysomycin S(sub 8b) copper complex

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 77368-79-7

System Generated Number

  • 0077368797

Structure Descriptors

InChI

1S/C62H97N19O28S2/c1-21-36(77-51(79-49(21)66)26(12-33(64)88)71-14-25(63)50(67)97)53(99)78-38(46(27-15-69-20-72-27)106-61-48(42(93)39(90)31(16-84)105-61)107-60-44(95)47(108-62(68)102)40(91)32(17-85)104-60)55(101)73-22(2)30(87)13-34(89)76-37(23(3)86)54(100)80-56(109-59-43(94)41(92)35(65)24(4)103-59)45(96)58-75-29(19-111-58)57-74-28(18-110-57)52(98)70-6-5-7-81(8-10-82)9-11-83/h15,18-20,22-26,30-32,35,37-48,56,59-61,71,82-87,90-96H,5-14,16-17,63,65H2,1-4H3,(H2,64,88)(H2,67,97)(H2,68,102)(H,69,72)(H,70,98)(H,73,101)(H,76,89)(H,78,99)(H,80,100)(H2,66,77,79)

InChIKey

VLVFJAPDCSPNKT-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)NCCCN(CCO)CCO)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 30mg/kg (30mg/kg)   Journal of Antibiotics. Vol. 34, Pg. 658, 1981.