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Substance Name: Benzoic acid, m-(2-methyl-5-phenylpyrrol-1-yl)-, compd. with 2-amino-2-methyl-1-propanol (1:1)
RN: 26180-47-2
InChIKey: ULWFVKKBMIGTRL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H15-N-O2.C4-H11-N-O

Molecular Weight

  • 366.458
 
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Names and Synonyms

Synonym

  • m-(2-Methyl-5-phenylpyrrol-1-yl)benzoic acid compd. with 2-amino-2-methyl-1-propanol (1:1)

Systematic Name

  • Benzoic acid, m-(2-methyl-5-phenylpyrrol-1-yl)-, compd. with 2-amino-2-methyl-1-propanol (1:1)

Registry Numbers

CAS Registry Number

  • 26180-47-2

System Generated Number

  • 0026180472

Molecular Formulas

Molecular Formula

  • C18-H15-N-O2.C4-H11-N-O

Molecular Formula Fragments

  • C18-H15-N-O2
  • C4-H11-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C18H15NO2.C4H11NO/c1-13-10-11-17(14-6-3-2-4-7-14)19(13)16-9-5-8-15(12-16)18(20)21;1-4(2,5)3-6/h2-12H,1H3,(H,20,21);6H,3,5H2,1-2H3

InChIKey

ULWFVKKBMIGTRL-UHFFFAOYSA-N

Smiles

C(C(C)(C)N)O.C(c1cc(ccc1)n1c(ccc1c1ccccc1)C)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1500mg/kg (1500mg/kg)   French Demande Patent Document. Vol. #2054474,