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Substance Name: beta-Alanine, N-(7-oxo-1,3,5-cycloheptatrien-1-yl)-, 2-(dimethylamino)ethyl ester
RN: 15499-09-9
InChIKey: ZCALLRJEILXULN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H20-N2-O3

Molecular Weight

  • 264.323
 
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Names and Synonyms

Synonyms

  • BRN 2748217
  • N-(2-Troponyl)-beta-alanine beta-dimethylaminoethyl ester
  • N-(7-Oxo-1,3,5-cycloheptatrien-1-yl)-beta-alanine 2-(dimethylamino)ethyl ester

Systematic Name

  • beta-Alanine, N-(7-oxo-1,3,5-cycloheptatrien-1-yl)-, 2-(dimethylamino)ethyl ester

Registry Numbers

CAS Registry Number

  • 15499-09-9

System Generated Number

  • 0015499099

Structure Descriptors

InChI

1S/C14H20N2O3/c1-16(2)10-11-19-14(18)8-9-15-12-6-4-3-5-7-13(12)17/h3-7H,8-11H2,1-2H3,(H,15,17)

InChIKey

ZCALLRJEILXULN-UHFFFAOYSA-N

Smiles

c1(NCCC(OCCN(C)C)=O)c(ccccc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2500mg/kg (2500mg/kg) VASCULAR: RELAXATION (ISOLATED TISSUES) Journal of Medicinal Chemistry. Vol. 10, Pg. 1144, 1967.