Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzenemethanol, 4-cyclopentyl-alpha-(((1-methylethyl)(phenylmethyl)amino)methyl)-, (Z)-2-butenedioate, hydrate
RN: 85689-98-1
InChIKey: ZVWUFJHQIKZJCG-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H31-N-O.C4-H4-O4.H2-O

Molecular Weight

  • 453.5755
 
* 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

  • Benzenemethanol, 4-cyclopentyl-alpha-(((1-methylethyl)(phenylmethyl)amino)methyl)-, (Z)-2-butenedioate, hydrate

Registry Numbers

CAS Registry Number

  • 85689-98-1

System Generated Number

  • 0085689981

Molecular Formulas

Molecular Formula

  • C23-H31-N-O.C4-H4-O4.H2-O

Molecular Formula Fragments

  • C23-H31-N-O
  • C4-H4-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C23H31NO.C4H4O4/c1-18(2)24(16-19-8-4-3-5-9-19)17-23(25)22-14-12-21(13-15-22)20-10-6-7-11-20;5-3(6)1-2-4(7)8/h3-5,8-9,12-15,18,20,23,25H,6-7,10-11,16-17H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

ZVWUFJHQIKZJCG-BTJKTKAUSA-N

Smiles

CC(C)N(Cc1ccccc1)CC(c2ccc(cc2)C3CCCC3)O.C(=C\C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2gm/kg (2000mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ATAXIA

BEHAVIORAL: EXCITEMENT
Collection of Czechoslovak Chemical Communications. Vol. 48, Pg. 642, 1983.