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Substance Name: Celesticetin salicylate
RN: 5333-75-5
UNII: R7M989I675
InChIKey: AWDLUSYVMFSMPH-RXBYAXNRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H36-N2-O9-S.C7-H6-O3

Molecular Weight

  • 666.7408
 
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Names and Synonyms

Name of Substance

  • Celesticetin salicylate

Synonyms

  • Hygramide
  • U-4819
  • UNII-R7M989I675

Systematic Name

  • Celesticetin, salicylate

Registry Numbers

CAS Registry Number

  • 5333-75-5

FDA UNII

  • R7M989I675

System Generated Number

  • 0005333755

Molecular Formulas

Molecular Formula

  • C24-H36-N2-O9-S.C7-H6-O3

Molecular Formula Fragments

  • C24-H36-N2-O9-S
  • C7-H6-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C24H36N2O9S.C7H6O3/c1-13(33-3)17(25-22(31)15-8-6-10-26(15)2)21-19(29)18(28)20(30)24(35-21)36-12-11-34-23(32)14-7-4-5-9-16(14)27;8-6-4-2-1-3-5(6)7(9)10/h4-5,7,9,13,15,17-21,24,27-30H,6,8,10-12H2,1-3H3,(H,25,31);1-4,8H,(H,9,10)/t13-,15+,17-,18+,19-,20-,21-,24-;/m1./s1

InChIKey

AWDLUSYVMFSMPH-RXBYAXNRSA-N

Smiles

CO[C@H](C)[C@@H](NC(=O)[C@@H]1CCCN1C)[C@H]2O[C@H](SCCOC(=O)c3ccccc3O)[C@H](O)[C@@H](O)[C@H]2O.OC(=O)c4ccccc4O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 intraperitoneal 174mg/kg (174mg/kg)   "Compounds Available for Fundamental Research, Volume II-6, Antibiotics, A Program of Upjohn Company Research Laboratory." Vol. 2(6), Pg. -, 1971.
mouse LD50 intraperitoneal 196mg/kg (196mg/kg)   "Compounds Available for Fundamental Research, Volume II-6, Antibiotics, A Program of Upjohn Company Research Laboratory." Vol. 2(6), Pg. -, 1971.
mouse LD50 oral 746mg/kg (746mg/kg)   "Compounds Available for Fundamental Research, Volume II-6, Antibiotics, A Program of Upjohn Company Research Laboratory." Vol. 2(6), Pg. -, 1971.