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Substance Name: Celesticetin A
RN: 2520-21-0
UNII: 8562X82NET
InChIKey: VMSQKUCYEMOKMM-PBZRRIJCSA-N

Note

  • Antibiotic produced by Streptomyces caelestis from soil; active against gram positive & plant pathogens.

Molecular Formula

  • C24-H36-N2-O9-S

Molecular Weight

  • 528.6194
 

Classification Code

  • Drug / Therapeutic Agent
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Names and Synonyms

Name of Substance

  • Celesticetin A

Synonyms

  • 4-22-00-00026 (Beilstein Handbook Reference)
  • BRN 0068470
  • Celesticetin
  • NSC 9147
  • U-5524
  • UNII-8562X82NET

Systematic Names

  • D-erythro-alpha-D-galacto-Octopyranoside, 2-((2-hydroxybenzoyl)oxy)ethyl 6,8-dideoxy-7-O-methyl-6-(((1-methyl-2-pyrrolidinyl)carbonyl)amino)-1-thio-, (S)- (9CI)
  • D-erythro-D-galacto-Octopyranoside, 2-hydroxyethyl 6,8-dideoxy-7-O-methyl-6-(1-methyl-L-2-pyrrolidinecarboxamido)-1-thio-, monosalicylate (ester), alpha- (8CI)
  • D-erythro-D-galacto-Octopyranoside, 2-hydroxyethyl-6,8-dideoxy-7-O-methyl-6-(1-methyl-L-2-pyrrolidinecarboxamido)-1-thio-, monosalicylate (ester), alpha-

Registry Numbers

CAS Registry Number

  • 2520-21-0

FDA UNII

  • 8562X82NET

Other Registry Numbers

  • 11027-24-0
  • 31326-72-4
  • 5460-13-9

System Generated Number

  • 0002520210

Structure Descriptors

InChI

1S/C24H36N2O9S/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/h4-5,7,9,13,15,17-21,24,27-30H,6,8,10-12H2,1-3H3,(H,25,31)/t13-,15+,17-,18+,19-,20-,21-,24-/m1/s1

InChIKey

VMSQKUCYEMOKMM-PBZRRIJCSA-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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   Cancer Chemotherapy Reports. Vol. 30, Pg. 9, 1963.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.450 (none)   EST
Atmospheric OH Rate Constant 3.08E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.