Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-Pyrrolidinepropanol, 3-(o-methoxyphenoxy)-, carbanilate (ester), fumarate, hydrate (2:1:1)
RN: 23044-19-1
InChIKey: LMUDCRGXKHSTHA-WXXKFALUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C42-H52-N4-O8.C4-H4-O4.H2-O

Molecular Weight

  • 856.964
 
* 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

  • 3-(o-Methoxyphenoxy)-1-pyrrolidinepropanol carbanilate (ester) fumarate hydrate (2:1:1)

Systematic Name

  • 1-Pyrrolidinepropanol, 3-(o-methoxyphenoxy)-, carbanilate (ester), fumarate, hydrate (2:1:1)

Registry Numbers

CAS Registry Number

  • 23044-19-1

System Generated Number

  • 0023044191

Molecular Formulas

Molecular Formula

  • C42-H52-N4-O8.C4-H4-O4.H2-O

Molecular Formula Fragments

  • C4-H4-O4
  • C42-H52-N4-O8
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C21H26N2O4.C4H4O4/c2*1-25-19-10-5-6-11-20(19)27-18-12-14-23(16-18)13-7-15-26-21(24)22-17-8-3-2-4-9-17;5-3(6)1-2-4(7)8/h2*2-6,8-11,18H,7,12-16H2,1H3,(H,22,24);1-2H,(H,5,6)(H,7,8)/b;;2-1+

InChIKey

LMUDCRGXKHSTHA-WXXKFALUSA-N

Smiles

C(=O)(O)\C=C\C(=O)O.C(=O)(OCCC[N@@]1C[C@@H](CC1)Oc1c(cccc1)OC)Nc1ccccc1.C(Nc1ccccc1)(=O)OCCC[N@@]1C[C@@H](Oc2c(cccc2)OC)CC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 75mg/kg (75mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS
Journal of Medicinal Chemistry. Vol. 12, Pg. 442, 1969.