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Substance Name: Carbamic acid, octadecyl-, (3-iodo-1H-pyrazol-4-yl)methyl ester
RN: 115547-76-7
InChIKey: KDPNYQBHHPRMIN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H42-I-N3-O2

Molecular Weight

  • 519.5038
 
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Names and Synonyms

Synonyms

  • BRN 5619107
  • Octadecylcarbamic acid (3-iodo-1H-pyrazol-4-yl)methyl ester

Systematic Name

  • Carbamic acid, octadecyl-, (3-iodo-1H-pyrazol-4-yl)methyl ester

Registry Numbers

CAS Registry Number

  • 115547-76-7

System Generated Number

  • 0115547767

Structure Descriptors

InChI

1S/C23H42IN3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-23(28)29-20-21-19-26-27-22(21)24/h19H,2-18,20H2,1H3,(H,25,28)(H,26,27)

InChIKey

KDPNYQBHHPRMIN-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCCCNC(=O)OCc1c[nH]nc1I

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 730mg/kg (730mg/kg)   Pharmaceutical Chemistry Journal Vol. 22, Pg. 306, 1988.