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Substance Name: Benzoic acid, p-amino-, 2-(1-methylheptylamino)ethyl ester, sulfamate
RN: 69781-31-3
InChIKey: LUUYXBOUTZPJPJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H28-N2-O2.H3-N-O3-S

Molecular Weight

  • 389.514
 
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Names and Synonyms

Synonym

  • p-Aminobenzoic acid 2-(1-methylheptylamino)ethyl ester sulfamate

Systematic Name

  • Benzoic acid, p-amino-, 2-(1-methylheptylamino)ethyl ester, sulfamate

Registry Numbers

CAS Registry Number

  • 69781-31-3

System Generated Number

  • 0069781313

Molecular Formulas

Molecular Formula

  • C17-H28-N2-O2.H3-N-O3-S

Molecular Formula Fragments

  • C17-H28-N2-O2
  • COMPONENT
  • H3-N-O3-S

Structure Descriptors

InChI

1S/C17H28N2O2.H3NO3S/c1-3-4-5-6-7-14(2)19-12-13-21-17(20)15-8-10-16(18)11-9-15;1-5(2,3)4/h8-11,14,19H,3-7,12-13,18H2,1-2H3;(H3,1,2,3,4)

InChIKey

LUUYXBOUTZPJPJ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 175mg/kg (175mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 90, Pg. 181, 1947.