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Substance Name: 4H-Pyran-2-carboxylic acid, 5-hydroxy-6-((isopropylamino)methy)-4-oxo-, hydrate
RN: 66748-41-2
InChIKey: JHJLZXABOGNEFF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H13-N-O5.H2-O

Molecular Weight

  • 227.2147
 
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Names and Synonyms

Synonym

  • 6-(Isopropylaminomethyl)comenic acid hydrate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 66748-41-2

System Generated Number

  • 0066748412

Molecular Formulas

Molecular Formula

  • C10-H13-N-O5.H2-O

Molecular Formula Fragments

  • C10-H13-N-O5
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C10H13NO5/c1-5(2)11-4-8-9(13)6(12)3-7(16-8)10(14)15/h3,5,11,13H,4H2,1-2H3,(H,14,15)

InChIKey

JHJLZXABOGNEFF-UHFFFAOYSA-N

Smiles

CC(C)NCC1=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)   Pharmaceutical Chemistry Journal Vol. 12, Pg. 230, 1978.