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Substance Name: 1-Piperidinebutanoic acid, 8-(1,2-dimethylheptyl)-1,2,3,5-tetrahydro-5,5-dimethylthiopyrano(2,3-c)(1)benzopyran-10-yl ester, hydrochloride
RN: 57860-77-2
InChIKey: CIIKHDPCSWLKLQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H49-N-O3-S.Cl-H

Molecular Weight

  • 612.335
 
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Names and Synonyms

  • 1-Piperidinebutanoic acid, 8-(1,2-dimethylheptyl)-1,2,3,5-tetrahydro-5,5-dimethylthiopyrano(2,3-c)(1)benzopyran-10-yl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 57860-77-2

System Generated Number

  • 0057860772

Molecular Formulas

Molecular Formula

  • C32-H49-N-O3-S.Cl-H

Molecular Formula Fragments

  • C32-H49-N-O3-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C32H49NO4S2.ClH/c1-6-7-9-14-23(2)24(3)25-21-27(36-29(34)16-12-19-33-17-10-8-11-18-33)30-26-15-13-20-35-31(26)32(38-4,39-5)37-28(30)22-25;/h21-24H,6-20H2,1-5H3;1H

InChIKey

CIIKHDPCSWLKLQ-UHFFFAOYSA-N

Smiles

CCCCCC(C)C(C)c1cc2c(c(c1)OC(=O)CCCN3CCCCC3)C4=C(C(O2)(SC)SC)OCCC4.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.