Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzoic acid, 4-amino-2-butoxy-, 3-piperidinopropyl ester, hydrogen phosphate
RN: 100811-78-7
InChIKey: JERWAZWOGZRFTL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H30-N2-O3.H3-O4-P

Molecular Weight

  • 432.451
 
* 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

Synonyms

  • 4-Amino-2-butoxy-benzoic acid 3-piperidinopropyl ester hydrogen phosphate
  • WIN 3502

Systematic Name

  • Benzoic acid, 4-amino-2-butoxy-, 3-piperidinopropyl ester, hydrogen phosphate

Registry Numbers

CAS Registry Number

  • 100811-78-7

System Generated Number

  • 0100811787

Molecular Formulas

Molecular Formula

  • C19-H30-N2-O3.H3-O4-P

Molecular Formula Fragments

  • C19-H30-N2-O3
  • COMPONENT
  • H3-O4-P

Structure Descriptors

InChI

1S/C19H30N2O3.H3O4P/c1-2-3-13-23-18-15-16(20)8-9-17(18)19(22)24-14-7-12-21-10-5-4-6-11-21;1-5(2,3)4/h8-9,15H,2-7,10-14,20H2,1H3;(H3,1,2,3,4)

InChIKey

JERWAZWOGZRFTL-UHFFFAOYSA-N

Smiles

c1(c(ccc(N)c1)C(OCCC[NH+]1CCCCC1)=O)OCCCC.P(O)(O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 3364ug/kg (3.364mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Pharmacology and Experimental Therapeutics. Vol. 104, Pg. 40, 1952.