Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-Piperazineethanamine, 4-butyl-alpha-methyl-N-phenyl-, ethanedioate, hydrate (2:4:1)
RN: 77562-88-0
InChIKey: AWYNHRHCIJELDT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H29-N3.2C2-H2-O4.1/2H2-O

Molecular Weight

  • 455.5047
 
* 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

Synonym

  • N-(1-Methyl-2-(4-n-butylpiperazino)ethyl)aniline dioxalate hemihydrate

Systematic Name

  • 1-Piperazineethanamine, 4-butyl-alpha-methyl-N-phenyl-, ethanedioate, hydrate (2:4:1)

Registry Numbers

CAS Registry Number

  • 77562-88-0

System Generated Number

  • 0077562880

Molecular Formulas

Molecular Formula

  • C17-H29-N3.2C2-H2-O4.1/2H2-O

Molecular Formula Fragments

  • C17-H29-N3
  • C2-H2-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C17H29N3.2C2H2O4/c1-3-4-8-17-14-20(16-9-6-5-7-10-16)12-11-19(17)13-15(2)18;2*3-1(4)2(5)6/h5-7,9-10,15,17H,3-4,8,11-14,18H2,1-2H3;2*(H,3,4)(H,5,6)

InChIKey

AWYNHRHCIJELDT-UHFFFAOYSA-N

Smiles

CCCCC1CN(CCN1CC(C)N)c2ccccc2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD subcutaneous > 300mg/kg (300mg/kg) SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE

BEHAVIORAL: REGIDITY

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Chemical and Pharmaceutical Bulletin. Vol. 28, Pg. 3315, 1980.