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Substance Name: Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, butyl ester
RN: 5497-45-0
InChIKey: FPSVFGKQHLLPOQ-UHFFFAOYSA-N

Molecular Formula

  • C11-H19-N-O2

Molecular Weight

  • 197.276
 
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Names and Synonyms

Synonyms

  • 5-22-01-00323 (Beilstein Handbook Reference)
  • BRN 0136369
  • n-Butyl-1-methyl-1,2,5,6-tetrahydronicotinate

Systematic Name

  • Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, butyl ester

Registry Numbers

CAS Registry Number

  • 5497-45-0

System Generated Number

  • 0005497450

Structure Descriptors

InChI

1S/C11H19NO2/c1-3-4-8-14-11(13)10-6-5-7-12(2)9-10/h6H,3-5,7-9H2,1-2H3

InChIKey

FPSVFGKQHLLPOQ-UHFFFAOYSA-N

Smiles

C=1(C(OCCCC)=O)C[N@@](CCC1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12548,