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Substance Name: Benzoic acid, m-amino-, (2-(isopropylamino)-2-methyl)propyl ester, hydrogen sulfate
RN: 69781-20-0
InChIKey: HKEVXZMONMCCKR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H22-N2-O2.1/2H2-O4-S

Molecular Weight

  • 348.418
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 69781-20-0

System Generated Number

  • 0069781200

Molecular Formulas

Molecular Formula

  • C14-H22-N2-O2.1/2H2-O4-S

Molecular Formula Fragments

  • C14-H22-N2-O2
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/C14H22N2O2.H2O4S/c1-10(2)16-14(3,4)9-18-13(17)11-5-7-12(15)8-6-11;1-5(2,3)4/h5-8,10,16H,9,15H2,1-4H3;(H2,1,2,3,4)

InChIKey

HKEVXZMONMCCKR-UHFFFAOYSA-N

Smiles

c1(C(OCC([NH2+]C(C)C)(C)C)=O)ccc(N)cc1.S(O)(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo subcutaneous 900mg/kg (900mg/kg)   Journal of the American Chemical Society. Vol. 65, Pg. 1222, 1943.