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Substance Name: 4H-Pyran-2-carboxylic acid, 6-(dimethylaminomethyl)-5-hydroxy-4-oxo-, hydrate
RN: 1746-65-2
InChIKey: VOTDRCFZXCKSFW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H11-N-O5.H2-O

Molecular Weight

  • 213.1879
 
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Names and Synonyms

Synonym

  • 6-(Dimethylaminomethyl)comenic acid hydrate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 1746-65-2

System Generated Number

  • 0001746652

Molecular Formulas

Molecular Formula

  • C9-H11-N-O5.H2-O

Molecular Formula Fragments

  • C9-H11-N-O5
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C9H11NO5/c1-10(2)4-7-8(12)5(11)3-6(15-7)9(13)14/h3,12H,4H2,1-2H3,(H,13,14)

InChIKey

VOTDRCFZXCKSFW-UHFFFAOYSA-N

Smiles

CN(C)CC1=C(O)C(=O)C=C(O1)C(=O)O

Toxicity

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