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Substance Name: Nicotinic acid, monoester with 3-(o-tolyloxy)-1,2-propanediol
RN: 28060-95-9
InChIKey: KCCUXQNIEYYDAM-UHFFFAOYSA-N

Molecular Formula

  • C16-H17-N-O4

Molecular Weight

  • 287.313
 
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Names and Synonyms

Synonym

  • 3-(o-Tolyloxy)-2-hydroxypropyl-1-nicotinate

Systematic Name

  • Nicotinic acid, monoester with 3-(o-tolyloxy)-1,2-propanediol

Registry Numbers

CAS Registry Number

  • 28060-95-9

System Generated Number

  • 0028060959

Structure Descriptors

InChI

1S/C16H17NO4/c1-12-5-2-3-7-15(12)20-10-14(18)11-21-16(19)13-6-4-8-17-9-13/h2-9,14,18H,10-11H2,1H3

InChIKey

KCCUXQNIEYYDAM-UHFFFAOYSA-N

Smiles

c1(c(cccc1)C)OC[C@@H](COC(c1cccnc1)=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2450mg/kg (2450mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Oyo Yakuri. Pharmacometrics. Vol. 7, Pg. 149, 1973.
mouse LD50 oral 9400mg/kg (9400mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Oyo Yakuri. Pharmacometrics. Vol. 7, Pg. 149, 1973.