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Substance Name: Quinomycin B
RN: 13602-52-3
InChIKey: RDXUWMJKBKETFO-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C53-H68-N12-O12-S2

Molecular Weight

  • 1129.3242
 
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Names and Synonyms

Synonyms

  • BRN 1071167
  • Quinomycin A, 4-(N-methylalloisoleucine)-8-(N-methylalloisoleucine)-

Systematic Name

  • Quinomycin B

Registry Numbers

CAS Registry Number

  • 13602-52-3

System Generated Number

  • 0013602523

Structure Descriptors

InChI

1S/C53H68N12O12S2/c1-12-27(3)40-51(74)76-24-38(61-44(67)36-23-55-32-19-15-17-21-34(32)59-36)46(69)57-30(6)48(71)65(10)42-50(73)64(9)41(28(4)13-2)52(75)77-25-37(60-43(66)35-22-54-31-18-14-16-20-33(31)58-35)45(68)56-29(5)47(70)62(7)39(49(72)63(40)8)26-79-53(42)78-11/h14-23,27-30,37-42,53H,12-13,24-26H2,1-11H3,(H,56,68)(H,57,69)(H,60,66)(H,61,67)

InChIKey

RDXUWMJKBKETFO-UHFFFAOYSA-N

Smiles

CCC(C)C1C(=O)OCC(C(=O)NC(C(=O)N(C2C(SCC(C(=O)N1C)N(C(=O)C(NC(=O)C(COC(=O)C(N(C2=O)C)C(C)CC)NC(=O)c3cnc4ccccc4n3)C)C)SC)C)C)NC(=O)c5cnc6ccccc6n5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 40ug/kg (0.04mg/kg)   Antimicrobial Agents and Chemotherapy Vol. -, Pg. 162, 1961.
mouse LD50 intravenous 54ug/kg (0.054mg/kg)   Journal of Antibiotics, Series A. Vol. 15, Pg. 272, 1962.