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Substance Name: 2-Propanol, 1-(bis(2-methylpropyl)amino)-3-(2-methylpropoxy)-, benzoate (ester), hydrochloride
RN: 51777-67-4
InChIKey: IQDLHGOWZYDUNN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H37-N-O3.Cl-H

Molecular Weight

  • 399.9992
 
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Names and Synonyms

Synonym

  • 1-(Diisobutylamino)-3-isobutoxy-2-propanol benzoate dihydrochloride

Systematic Name

  • 2-Propanol, 1-(bis(2-methylpropyl)amino)-3-(2-methylpropoxy)-, benzoate (ester), hydrochloride

Registry Numbers

CAS Registry Number

  • 51777-67-4

System Generated Number

  • 0051777674

Molecular Formulas

Molecular Formula

  • C22-H37-N-O3.Cl-H

Molecular Formula Fragments

  • C22-H37-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H37NO3.ClH/c1-17(2)12-23(13-18(3)4)14-21(16-25-15-19(5)6)26-22(24)20-10-8-7-9-11-20;/h7-11,17-19,21H,12-16H2,1-6H3;1H

InChIKey

IQDLHGOWZYDUNN-UHFFFAOYSA-N

Smiles

CC(C)CN(CC(C)C)CC(COCC(C)C)OC(=O)c1ccccc1.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD subcutaneous > 200mg/kg (200mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 94, Pg. 126, 1974.