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Substance Name: 1-Piperidinebutanoic acid, 7-(1,2-dimethylheptyl)-1,4-dihydro-4,4-dimethyl-2H-thieno(2,3-c)(1)benzopyran-9-yl ester, hydrochloride
RN: 50708-91-3
InChIKey: METSNVLBHRSFQQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H47-N-O3-S.Cl-H

Molecular Weight

  • 550.2432
 
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Names and Synonyms

  • 1-Piperidinebutanoic acid, 7-(1,2-dimethylheptyl)-1,4-dihydro-4,4-dimethyl-2H-thieno(2,3-c)(1)benzopyran-9-yl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 50708-91-3

System Generated Number

  • 0050708913

Molecular Formulas

Molecular Formula

  • C31-H47-N-O3-S.Cl-H

Molecular Formula Fragments

  • C31-H47-N-O3-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C31H47NO3S.ClH/c1-6-7-9-13-22(2)23(3)24-20-26(34-28(33)14-12-18-32-16-10-8-11-17-32)29-25-15-19-36-30(25)31(4,5)35-27(29)21-24;/h20-23H,6-19H2,1-5H3;1H

InChIKey

METSNVLBHRSFQQ-UHFFFAOYSA-N

Smiles

CCCCCC(C)C(C)c1cc2c(c(c1)OC(=O)CCCN3CCCCC3)C4=C(C(O2)(C)C)SCC4.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral > 300mg/kg (300mg/kg)   Journal of Medicinal Chemistry. Vol. 19, Pg. 549, 1976.