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Substance Name: Hepronicate [INN:JAN]
RN: 7237-81-2
UNII: E4RK86FAVR
InChIKey: GUIBJJJLGSYNKE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H31-N3-O6

Molecular Weight

  • 505.568
 
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Names and Synonyms

Name of Substance

  • Hepronicate
  • Hepronicate [INN:JAN]

Synonyms

  • 2-Hydroxymethyl-2-hexyl-1,3-propanediol trinicotinate
  • 3-Pyridinecarboxylic acid, 2-hexyl-2-(((3-pyridinecarbonyl)oxy)methyl)-1,3-propanediyl ester
  • BRN 0504308
  • CLY 115
  • Hepronicat
  • Hepronicate
  • Hepronicato
  • Hepronicato [INN-Spanish]
  • Hepronicatum
  • Hepronicatum [INN-Latin]
  • Megrin
  • UNII-E4RK86FAVR

Systematic Names

  • 2-Hexyl-2-(hydroxymethyl)-1,3-propanediol trinicotinate
  • Nicotinic acid, triester with 2-hexyl-2-(hydroxymethyl)-1,3-propanediol

Registry Numbers

CAS Registry Number

  • 7237-81-2

FDA UNII

  • E4RK86FAVR

System Generated Number

  • 0007237812

Structure Descriptors

InChI

1S/C28H31N3O6/c1-2-3-4-5-12-28(19-35-25(32)22-9-6-13-29-16-22,20-36-26(33)23-10-7-14-30-17-23)21-37-27(34)24-11-8-15-31-18-24/h6-11,13-18H,2-5,12,19-21H2,1H3

InChIKey

GUIBJJJLGSYNKE-UHFFFAOYSA-N

Smiles

C(COC(c1cccnc1)=O)(COC(c1cccnc1)=O)(COC(c1cccnc1)=O)CCCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 5gm/kg (5000mg/kg)   Yakkyoku. Pharmacy. Vol. 27, Pg. 1402, 1976.
mouse LD50 oral 5gm/kg (5000mg/kg)   Yakkyoku. Pharmacy. Vol. 27, Pg. 1402, 1976.
mouse LD50 subcutaneous 5gm/kg (5000mg/kg)   Yakkyoku. Pharmacy. Vol. 27, Pg. 1402, 1976.
rat LD50 intraperitoneal > 5gm/kg (5000mg/kg)   Drugs in Japan Vol. -, Pg. 1257, 1995.
rat LD50 oral > 5gm/kg (5000mg/kg)   Drugs in Japan Vol. -, Pg. 1257, 1995.
rat LD50 subcutaneous > 5gm/kg (5000mg/kg)   Drugs in Japan Vol. -, Pg. 1257, 1995.