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Substance Name: Nicotinyl alcohol [USAN:BAN]
RN: 100-55-0
UNII: 9TF312056Y
InChIKey: MVQVNTPHUGQQHK-UHFFFAOYSA-N

Note

  • Alcohol analog of NICOTINIC ACID which is a direct-acting peripheral vasodilator that causes flushing and may decrease blood pressure. It is used in vasospasm and threatened GANGRENE.

Molecular Formula

  • C6-H7-N-O

Molecular Weight

  • 109.1273
 

Classification Codes

  • Cardiovascular Agents
  • Vasodilator (Peripheral)
  • Vasodilator Agents
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Names and Synonyms

Name of Substance

  • Nicotinyl alcohol
  • Nicotinyl alcohol [USAN:BAN]

MeSH Heading

  • Nicotinyl alcohol

Synonyms

  • 3-(Hydroxymethyl)pyridine
  • 3-Picolyl alcohol
  • 3-Pyridinylmethanol
  • 3-Pyridylcarbinol
  • 3-Pyridylmethanol
  • 5-21-02-00172 (Beilstein Handbook Reference)
  • beta-Picolyl alcohol
  • beta-Pyridinecarbinol
  • BRN 0107851
  • EINECS 202-864-6
  • Nicotinic alcohol
  • Nicotinyl alcohol
  • NSC 526046
  • NU-2121
  • Pyridine-3-carbinol
  • RO 1-5155
  • Ro-1-5155
  • Roniacol
  • UNII-9TF312056Y

Systematic Names

  • 3-Pyridinemethanol
  • 3-Pyridylmethanol

Registry Numbers

CAS Registry Number

  • 100-55-0

FDA UNII

  • 9TF312056Y

System Generated Number

  • 0000100550

Structure Descriptors

InChI

1S/C6H7NO/c8-5-6-2-1-3-7-4-6/h1-4,8H,5H2

InChIKey

MVQVNTPHUGQQHK-UHFFFAOYSA-N

Smiles

c1(cccnc1)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1gm/kg (1000mg/kg)   Pharmazie. Vol. 11, Pg. 242, 1956.
mouse LD50 unreported 2gm/kg (2000mg/kg)   Cancer Research. Vol. 22, Pg. 483, 1962.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -6.50E+00 deg C   EXP
Boiling Point 266 deg C   EXP
pKa Dissociation Constant 4.9 (none) 25 EXP
log P (octanol-water) -0.02 (none)   EXP
Water Solubility 1.00E+06 mg/L 25 EXP
Vapor Pressure 0.026 mm Hg 25 EST
Henry's Law Constant 2.85E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.33E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.