Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Carbanilic acid, 2-(diethylamino)trimethylene ester, tosylate
RN: 27467-08-9
InChIKey: HHOYPVOUYAPXAY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H27-N3-O4.C7-H8-O3-S

Molecular Weight

  • 557.664
 
* 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

  • 1,3-Propanediol, 2-(diethylamino)-, dicarbanilate, tosylate
  • 2-(Diethylamino)trimethylene carbanilate tosylate

Systematic Name

  • Carbanilic acid, 2-(diethylamino)trimethylene ester, tosylate

Registry Numbers

CAS Registry Number

  • 27467-08-9

System Generated Number

  • 0027467089

Molecular Formulas

Molecular Formula

  • C21-H27-N3-O4.C7-H8-O3-S

Molecular Formula Fragments

  • C21-H27-N3-O4
  • C7-H8-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C21H27N3O4.C7H8O3S/c1-3-24(4-2)19(15-27-20(25)22-17-11-7-5-8-12-17)16-28-21(26)23-18-13-9-6-10-14-18;1-6-2-4-7(5-3-6)11(8,9)10/h5-14,19H,3-4,15-16H2,1-2H3,(H,22,25)(H,23,26);2-5H,1H3,(H,8,9,10)

InChIKey

HHOYPVOUYAPXAY-UHFFFAOYSA-N

Smiles

C([NH+](CC)CC)(COC(Nc1ccccc1)=O)COC(Nc1ccccc1)=O.c1(ccc(C)cc1)S(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 648, 1970.