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Substance Name: Antibiotic K 41, monosodium salt
RN: 69307-91-1
InChIKey: OBROZTNUCRYRNA-KCEQURFISA-M

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C48-H81-O18.Na

Molecular Weight

  • 969.1399
 
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Names and Synonyms

Synonyms

  • 37454RP sodium salt
  • Antibiotic A 32887 sodium salt
  • K 41 sodium salt

Systematic Name

  • Antibiotic K 41, monosodium salt

Registry Numbers

CAS Registry Number

  • 69307-91-1

System Generated Number

  • 0069307911

Molecular Formulas

Molecular Formula

  • C48-H81-O18.Na

Molecular Formula Fragments

  • C48-H81-O18
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C48H82O18.Na/c1-23-38(62-37-20-18-30(54-10)28(6)59-37)25(3)46(9,52)65-39(23)33-16-15-31(60-33)32-17-19-35(61-32)45(8)42(57-13)27(5)48(66-45)24(2)34(55-11)21-29(63-48)22-36-44(7,58-14)41(56-12)26(4)47(53,64-36)40(49)43(50)51;/h23-42,49,52-53H,15-22H2,1-14H3,(H,50,51);/q;+1/p-1/t23-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33+,34+,35+,36-,37-,38-,39-,40-,41-,42+,44-,45+,46-,47-,48?;/m0./s1

InChIKey

OBROZTNUCRYRNA-KCEQURFISA-M

Smiles

C[C@@H]1[C@H](O[C@]([C@@H]([C@H]1O[C@H]2CC[C@@H]([C@H](O2)C)OC)C)(C)O)[C@H]3CC[C@@H](O3)[C@@H]4CC[C@@H](O4)[C@@]5([C@@H]([C@H](C6(O5)[C@@H]([C@@H](C[C@H](O6)C[C@H]7[C@]([C@H]([C@@H]([C@](O7)([C@H](C(=O)[O-])O)O)C)OC)(C)OC)OC)C)C)OC)C.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 48mg/kg (48mg/kg)   Journal of Antibiotics. Vol. 29, Pg. 10, 1976.
mouse LD50 oral 90mg/kg (90mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #79-59396,