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Substance Name: beta-Alanine, N-cyclohexyl-N-((7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl)-, hydrochloride
RN: 57028-62-3
InChIKey: UBIGPYGLKRJOCO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H25-N-O5.Cl-H

Molecular Weight

  • 395.88
 
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Names and Synonyms

Synonym

  • N-Cyclohexyl-N-((7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl)-beta-alanine HCl

Systematic Name

  • beta-Alanine, N-cyclohexyl-N-((7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 57028-62-3

System Generated Number

  • 0057028623

Molecular Formulas

Molecular Formula

  • C20-H25-N-O5.Cl-H

Molecular Formula Fragments

  • C20-H25-N-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H25NO5.ClH/c1-13-11-19(25)26-20-15(13)7-8-17(22)16(20)12-21(10-9-18(23)24)14-5-3-2-4-6-14;/h7-8,11,14,22H,2-6,9-10,12H2,1H3,(H,23,24);1H

InChIKey

UBIGPYGLKRJOCO-UHFFFAOYSA-N

Smiles

c12c(C[N@@H+](C3CCCCC3)CCC(O)=O)c(ccc1c(cc(o2)=O)C)O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 500mg/kg (500mg/kg)   Research Communications in Chemical Pathology and Pharmacology. Vol. 11, Pg. 651, 1975.