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Substance Name: Nicotinic acid, compd. with 2-(dimethylamino)ethanol
RN: 52461-61-7
InChIKey: YHFUXEXIBPRPQS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H5-N-O2.C4-H11-N-O

Molecular Weight

  • 212.247
 
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Names and Synonyms

Synonyms

  • 3-Pyridinecarboxylic acid, compd. with 2-(dimethylamino)ethanol (1:1)
  • Dimethyl-amino-ethanol de nicotinate
  • Dimethyl-amino-ethanol de nicotinate [French]

Systematic Name

  • Nicotinic acid, compd. with 2-(dimethylamino)ethanol

Registry Numbers

CAS Registry Number

  • 52461-61-7

System Generated Number

  • 0052461617

Molecular Formulas

Molecular Formula

  • C6-H5-N-O2.C4-H11-N-O

Molecular Formula Fragments

  • C4-H11-N-O
  • C6-H5-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C6H5NO2.C4H11NO/c8-6(9)5-2-1-3-7-4-5;1-5(2)3-4-6/h1-4H,(H,8,9);6H,3-4H2,1-2H3

InChIKey

YHFUXEXIBPRPQS-UHFFFAOYSA-N

Smiles

c1(cccnc1)C(O)=O.C(N(C)C)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 4gm/kg (4000mg/kg)   Therapie. Vol. 16, Pg. 86, 1961.