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Substance Name: 2'''-Hydroxychlorothricin
RN: 111810-18-5
InChIKey: BOAFKDAAUUBJJK-RAXLEYEMSA-N

Note

  • From Streptomyces sp. K818.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C50-H63-Cl-O17

Molecular Weight

  • 971.484
 
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Names and Synonyms

Name of Substance

  • 2'''-Hydroxychlorothricin

Synonyms

  • 2'''-Hydroxychlorothricin
  • Antibiotic K818 B
  • Chlorothricin, 2'''-hydroxy-
  • Chlorothricin, 2(sup A)-hydroxy-

Systematic Name

  • Chlorothricin, 2(A)-hydroxy-, (2(A)R)-, (9CI)

Registry Numbers

CAS Registry Number

  • 111810-18-5

System Generated Number

  • 0111810185

Structure Descriptors

InChI

1S/C50H63ClO17/c1-23-22-50-28(20-30(23)44(56)57)13-10-8-7-9-12-27-16-17-29-31(49(27,5)48(60)67-42(43(50)55)46(59)68-50)14-11-15-33(29)65-47-40(54)39(53)41(26(4)63-47)66-36-21-35(38(52)25(3)62-36)64-45(58)37-24(2)32(51)18-19-34(37)61-6/h10,13,16-20,23,25-29,31,33,35-36,38-41,47,52-55H,7-9,11-12,14-15,21-22H2,1-6H3,(H,56,57)/b13-10-

InChIKey

BOAFKDAAUUBJJK-RAXLEYEMSA-N

Smiles

c1(C(O[C@@H]2C[C@@H](O[C@@H]([C@@H]2O)C)O[C@@H]2[C@@H](O[C@@H](O[C@@H]3[C@@H]4C=C[C@@H]5CCCCC=C[C@@H]6[C@@]7(C(=C(C(O7)=O)OC([C@@]5([C@@H]4CCC3)C)=O)O)C[C@@H](C)C(C(O)=O)=C6)[C@@H]([C@@H]2O)O)C)=O)c(OC)ccc(c1C)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 295mg/kg (295mg/kg)   Journal of Antibiotics. Vol. 40, Pg. 1452, 1987.