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Substance Name: 1-Piperidinebutanoic acid, alpha-methyl-8-(1,2-dimethylheptyl)-1,2,3,5-tetrahydro-5,5-dimethylthiopyrano(2,3-c)(1)benzopyran-10-yl ester, hydrochloride
RN: 57860-78-3
InChIKey: SSOFZAOLNPHBGL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C33-H51-N-O3-S.Cl-H

Molecular Weight

  • 626.3618
 
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Names and Synonyms

  • 1-Piperidinebutanoic acid, alpha-methyl-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

  • 57860-78-3

System Generated Number

  • 0057860783

Molecular Formulas

Molecular Formula

  • C33-H51-N-O3-S.Cl-H

Molecular Formula Fragments

  • C33-H51-N-O3-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C33H51NO4S2.ClH/c1-7-8-10-14-23(2)25(4)26-21-28(37-32(35)24(3)16-19-34-17-11-9-12-18-34)30-27-15-13-20-36-31(27)33(39-5,40-6)38-29(30)22-26;/h21-25H,7-20H2,1-6H3;1H

InChIKey

SSOFZAOLNPHBGL-UHFFFAOYSA-N

Smiles

CCCCCC(C)C(C)c1cc2c(c(c1)OC(=O)C(C)CCN3CCCCC3)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.