Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Butyric acid, 2-((9-methoxy-7-methyl-5-oxo-3a,4,4a,8a,9,9a-hexahydro-5H-furo(3,2-g)(1)benzopyran-4-yl)oxy)-, 2-piperidinoethyl ester, hydrochloride
RN: 100700-33-2
InChIKey: PRJRTTRNZWALTL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H35-N-O7.Cl-H

Molecular Weight

  • 486.001
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

  • Butyric acid, 2-((9-methoxy-7-methyl-5-oxo-3a,4,4a,8a,9,9a-hexahydro-5H-furo(3,2-g)(1)benzopyran-4-yl)oxy)-, 2-piperidinoethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 100700-33-2

System Generated Number

  • 0100700332

Molecular Formulas

Molecular Formula

  • C24-H35-N-O7.Cl-H

Molecular Formula Fragments

  • C24-H35-N-O7
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C24H35NO7.ClH/c1-4-18(24(27)30-13-11-25-9-6-5-7-10-25)32-20-16-8-12-29-21(16)23(28-3)22-19(20)17(26)14-15(2)31-22;/h8,12,14,16,18-23H,4-7,9-11,13H2,1-3H3;1H

InChIKey

PRJRTTRNZWALTL-UHFFFAOYSA-N

Smiles

O([C@@H]1[C@@H]2[C@@H]([C@@H](OC)[C@@H]3[C@@H]1C=CO3)OC(C)=CC2=O)[C@@H](C(OCC[NH+]1CCCCC1)=O)CC.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 132mg/kg (132mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION
Polish Journal of Pharmacology and Pharmacy. Vol. 30, Pg. 767, 1978.