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Substance Name: 4H-Pyran-2-carboxylic acid, 6-((benzylamino)methyl)-5-hydroxy-4-oxo-, hydrate
RN: 66556-11-4
InChIKey: ANHLXBSHJVOIRO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H13-N-O5.H2-O

Molecular Weight

  • 275.2587
 
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Names and Synonyms

Synonym

  • 6-(Benzylaminomethyl)comenic acid hydrate

Systematic Name

  • 4H-Pyran-2-carboxylic acid, 6-((benzylamino)methyl)-5-hydroxy-4-oxo-, hydrate

Registry Numbers

CAS Registry Number

  • 66556-11-4

System Generated Number

  • 0066556114

Molecular Formulas

Molecular Formula

  • C14-H13-N-O5.H2-O

Molecular Formula Fragments

  • C14-H13-N-O5
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C14H13NO5/c16-10-6-11(14(18)19)20-12(13(10)17)8-15-7-9-4-2-1-3-5-9/h1-6,15,17H,7-8H2,(H,18,19)

InChIKey

ANHLXBSHJVOIRO-UHFFFAOYSA-N

Smiles

OC(=O)C1=CC(=O)C(=C(CNCc2ccccc2)O1)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 12, Pg. 230, 1978.