Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Valeric acid, 5-(dimethylamino)-2-isopropyl-2-phenyl-, hydrochloride
RN: 10404-37-2
InChIKey: YYSYBJQMZXDUPW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H25-N-O2.Cl-H

Molecular Weight

  • 299.839
 
* 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

  • 5-(Dimethylamino)-2-isopropyl-2-phenylvaleric acid hydrochloride
  • alpha-Isopropyl-alpha-(3-dimethylaminopropyl)phenylacetic acid hydrochloride
  • Pentanoic acid, 5-(dimethylamino)-2-(1-methylethyl)-2-phenyl-, hydrochloride

Systematic Name

  • Valeric acid, 5-(dimethylamino)-2-isopropyl-2-phenyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 10404-37-2

System Generated Number

  • 0010404372

Molecular Formulas

Molecular Formula

  • C16-H25-N-O2.Cl-H

Molecular Formula Fragments

  • C16-H25-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H25NO2.ClH/c1-13(2)16(15(18)19,11-8-12-17(3)4)14-9-6-5-7-10-14;/h5-7,9-10,13H,8,11-12H2,1-4H3,(H,18,19);1H

InChIKey

YYSYBJQMZXDUPW-UHFFFAOYSA-N

Smiles

C([C@@](CCCN(C)C)(c1ccccc1)C(C)C)(=O)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1150mg/kg (1150mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 786, 1966.