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Substance Name: Benzoic acid, m-amino-, (2-(ethylamino)-2-methyl)propyl ester, hydrogen sulfate
RN: 69781-15-3
InChIKey: XJAALXCZVFIONJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H20-N2-O2.1/2H2-O4-S

Molecular Weight

  • 334.391
 
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Names and Synonyms

Synonym

  • m-Aminobenzoic acid (2-(ethylamino)-2-methyl)propyl ester hydrogen sulfate

Systematic Name

  • Benzoic acid, m-amino-, (2-(ethylamino)-2-methyl)propyl ester, hydrogen sulfate

Registry Numbers

CAS Registry Number

  • 69781-15-3

System Generated Number

  • 0069781153

Molecular Formulas

Molecular Formula

  • C13-H20-N2-O2.1/2H2-O4-S

Molecular Formula Fragments

  • C13-H20-N2-O2
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/C13H20N2O2.H2O4S/c1-4-15-13(2,3)9-17-12(16)10-6-5-7-11(14)8-10;1-5(2,3)4/h5-8,15H,4,9,14H2,1-3H3;(H2,1,2,3,4)

InChIKey

XJAALXCZVFIONJ-UHFFFAOYSA-N

Smiles

c1(C(OCC([NH2+]CC)(C)C)=O)cc(ccc1)N.S(O)(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo subcutaneous 2500mg/kg (2500mg/kg)   Journal of the American Chemical Society. Vol. 65, Pg. 1222, 1943.