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Substance Name: Benzoic acid, p-amino-, 2-(cyclohexylamino)propyl ester, glycolate, hydrate
RN: 100811-83-4
InChIKey: QOLJVWYPAGDCEB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H24-N2-O2.C2-H4-O3.H2-O

Molecular Weight

  • 352.428
 
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Names and Synonyms

Synonyms

  • 1-Cyclohexylamino-2-propanol p-aminobenzoate glycolate
  • p-Aminobenzoic acid 2-(cyclohexylamino)propyl ester glycolate hydrate

Systematic Name

  • Benzoic acid, p-amino-, 2-(cyclohexylamino)propyl ester, glycolate, hydrate

Registry Numbers

CAS Registry Number

  • 100811-83-4

System Generated Number

  • 0100811834

Molecular Formulas

Molecular Formula

  • C16-H24-N2-O2.C2-H4-O3.H2-O

Molecular Formula Fragments

  • C16-H24-N2-O2
  • C2-H4-O3
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C16H24N2O2.C2H4O3/c1-12(18-15-5-3-2-4-6-15)11-20-16(19)13-7-9-14(17)10-8-13;3-1-2(4)5/h7-10,12,15,18H,2-6,11,17H2,1H3;3H,1H2,(H,4,5)

InChIKey

QOLJVWYPAGDCEB-UHFFFAOYSA-N

Smiles

c1(C(OC[C@@H]([NH2+]C2CCCCC2)C)=O)ccc(N)cc1.C(CO)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 250mg/kg (250mg/kg)   Journal of the American Chemical Society. Vol. 66, Pg. 1453, 1944.