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Substance Name: Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, d-tartrate (2:1)
RN: 67031-53-2
InChIKey: WWCYPMNHJGJRCG-CEAXSRTFSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H28-N2-O2.1/2C4-H6-O6

Molecular Weight

  • 734.926
 
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Names and Synonyms

Synonym

  • p-Aminobenzoic acid 2-((1-methylheptyl)amino)ethyl ester d-tartrate (2:1)

Systematic Name

  • Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, d-tartrate (2:1)

Registry Numbers

CAS Registry Number

  • 67031-53-2

System Generated Number

  • 0067031532

Molecular Formulas

Molecular Formula

  • C17-H28-N2-O2.1/2C4-H6-O6

Molecular Formula Fragments

  • C17-H28-N2-O2
  • C4-H6-O6
  • COMPONENT

Structure Descriptors

InChI

1S/2C17H28N2O2.C4H6O6/c2*1-3-4-5-6-7-14(2)19-12-13-21-17(20)15-8-10-16(18)11-9-15;5-1(3(7)8)2(6)4(9)10/h2*8-11,14,19H,3-7,12-13,18H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1

InChIKey

WWCYPMNHJGJRCG-CEAXSRTFSA-N

Smiles

c1(C(OCCN[C@@H](CCCCCC)C)=O)ccc(N)cc1.c1(C(OCCN[C@@H](CCCCCC)C)=O)ccc(N)cc1.C([C@@H]([C@H](C(O)=O)O)O)(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 200mg/kg (200mg/kg)   Journal of the American Chemical Society. Vol. 66, Pg. 1448, 1944.