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Substance Name: Azinothricin
RN: 101342-90-9
InChIKey: SWYLPIMCJADFNO-QIFPABMSSA-N

Note

  • From Streptomyces sp.X-14950; hexadepsipeptide.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C49-H80-N8-O15

Molecular Weight

  • 1021.21
 
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Names and Synonyms

Name of Substance

  • Azinothricin

Synonym

  • Azinothricin

Systematic Names

  • 2H-Pyran-2-acetamide, alpha-ethyl-6-(3-ethyl-1,5-dimethyl-4-oxo-1,5-heptadienyl)-N-(1,8,14,15,18,21,27-heptaaza-21-hydroxy-7-(1-hydroxyethyl)-2,6,9,16,19,22-hexaoxo-4-isopropyl-20-(methoxymethyl)-17,18-dimethyl-5-oxatricyclo(21.4.0.0(sup 10,15))heptacosan-3-yl)tetrahydro-alpha-2-dihydroxy-5-methyl-
  • Azinothricin

Registry Numbers

CAS Registry Number

  • 101342-90-9

System Generated Number

  • 0101342909

Structure Descriptors

InChI

1S/C49H80N8O15/c1-13-27(6)38(59)32(14-2)24-29(8)40-28(7)20-21-49(68,72-40)48(67,15-3)47(66)53-37-39(26(4)5)71-46(65)36(31(10)58)52-41(60)33-18-16-22-50-55(33)42(61)30(9)54(11)43(62)35(25-70-12)57(69)44(63)34-19-17-23-51-56(34)45(37)64/h13,24,26,28,30-37,39-40,50-51,58,67-69H,14-23,25H2,1-12H3,(H,52,60)(H,53,66)/b27-13+,29-24+

InChIKey

SWYLPIMCJADFNO-QIFPABMSSA-N

Smiles

C1C[C@@H]([C@@H](O[C@@]1([C@@](C(N[C@@H]1[C@@H](C(C)C)OC([C@@H]([C@@H](C)O)NC(=O)[C@@H]2CCCNN2C(=O)[C@@H](N(C)C([C@@H](COC)N(O)C(=O)[C@@H]2N(C1=O)NCCC2)=O)C)=O)=O)(CC)O)O)\C(C)=C\[C@@H](CC)C(=O)\C(C)=C\C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3200ug/kg (3.2mg/kg)   Journal of Antibiotics. Vol. 39, Pg. 17, 1986.
mouse LD50 intravenous 10mg/kg (10mg/kg)   Journal of Antibiotics. Vol. 39, Pg. 17, 1986.
mouse LD50 oral > 500mg/kg (500mg/kg)   Journal of Antibiotics. Vol. 39, Pg. 17, 1986.
mouse LD50 subcutaneous 420mg/kg (420mg/kg)   Journal of Antibiotics. Vol. 39, Pg. 17, 1986.