KEGG   DRUG: Nicotinyl alcohol
Entry
D05158                      Drug                                   
Name
Nicotinyl alcohol (USAN);
Roniacol (TN)
Formula
C6H7NO
Exact mass
109.0528
Mol weight
109.1259
Structure
Simcomp
Remark
ATC code: C04AC02 C10AD05
Efficacy
Vasodilator (peripheral)
Comment
Nicotinic acid derivative
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C04 PERIPHERAL VASODILATORS
   C04A PERIPHERAL VASODILATORS
    C04AC Nicotinic acid and derivatives
     C04AC02 Nicotinyl alcohol (pyridylcarbinol)
      D05158  Nicotinyl alcohol (USAN)
  C10 LIPID MODIFYING AGENTS
   C10A LIPID MODIFYING AGENTS, PLAIN
    C10AD Nicotinic acid and derivatives
     C10AD05 Nicotinyl alcohol (pyridylcarbinol)
      D05158  Nicotinyl alcohol (USAN)
Other DBs
CAS: 100-55-0
PubChem: 47206882
PDB-CCD: PYF[PDBj]
LigandBox: D05158
NIKKAJI: J4.983B
KCF data

ATOM        8
            1   C8x C    19.5626  -15.9193
            2   C8y C    20.7688  -16.6302
            3   C8x C    18.3449  -16.6302
            4   C8x C    20.7688  -18.0401
            5   C1b C    21.9864  -15.9426
            6   C8x C    18.3449  -18.0401
            7   N5x N    19.5626  -18.7393
            8   O1a O    23.1868  -16.6417
BOND        8
            1     1   2 2
            2     1   3 1
            3     2   4 1
            4     2   5 1
            5     3   6 2
            6     4   7 2
            7     5   8 1
            8     6   7 1

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