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Substance Name: Xanthinol niacinate [USAN]
RN: 437-74-1
UNII: 8G60H12X2D
InChIKey: GEPMAHVDJHFBJI-UHFFFAOYSA-N

Note

  • A vasodilator used in peripheral vascular disorders and insufficiency. It may cause gastric discomfort and hypotension.

Molecular Formula

  • C13-H21-N5-O4.C6-H5-N-O2

Molecular Weight

  • 434.4504
 

Classification Codes

  • Cardiovascular Agents
  • Drug / Therapeutic Agent
  • Reproductive Effect
  • Vasodilator (Peripheral)
  • Vasodilator Agents
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Names and Synonyms

Name of Substance

  • Xanthinol niacinate
  • Xanthinol niacinate [USAN]
  • Xantinol nicotinate [INN]

MeSH Heading

  • Xanthinol niacinate

Synonyms

  • 3-Pyridinecarboxylic acid compd. with 3,7-dihydro-7-(2-hydroxy-3-((2-hydroxyethyl)methylamino)propyl)-1,3-dimethyl-1H-purine-2,6-dione (1:1)
  • 7- 2-Hydroxy-3-((2-hydroxyethyl)methylamino)propyl theophylline, compound with nicotinic acid (1:1)
  • 7-(2-Hydroxy-3-((2-hydroxyethyl)methylamino)propyl)theophylline compd. with nicotinic acid
  • 7-(3-(N-(2-Hydroxyethyl)amino)-2-hydroxypropyl)thiophylline nicotinate
  • 7-{2-Hydroxy-3-((2-hydroxyethyl)methylamino)propyl}theophylline, compound with nicotinic acid (1:1)
  • Angioamin
  • Angiomin
  • Complamex
  • Complamin
  • Complamin retard
  • Contamex
  • EINECS 207-115-7
  • Landrina
  • Methoxylin, compd. with nicotinic acid
  • Nicotinate de xantinol
  • Nicotinate de xantinol [INN-French]
  • Nicotinato de xantinol
  • Nicotinato de xantinol [INN-Spanish]
  • NSC 113217
  • Sadamin
  • Sadamine
  • SK 331 A
  • Stenalgil
  • Teonicol
  • UNII-8G60H12X2D
  • Vedrin
  • Xanidil
  • Xanthinol niacinate
  • Xanthinol nicotinate
  • Xanthinolium nicotinicum
  • Xantinol nicotinate
  • Xantinoli nicotinas
  • Xantinoli nicotinas [INN-Latin]
  • Xantinolo nicotinato
  • Xantinolo nicotinato [DCIT]
  • Xavin

Systematic Names

  • 3-Pyridinecarboxylic acid compd. with 3,7-dihydro-7-(2-hydroxy-3-((2-hydroxyethyl)methylamino)propyl)-1,3-dimethyl-1H-purine-2,6-dione (1:1)
  • Nicotinic acid, compd. with 3,7-dihydro-7-(2-hydroxy-3-((2-hydroxyethyl) methylamino)propyl)-1,3-dimethyl-1H-purine-2,6-dione
  • Nicotinic acid, compd. with 7-(2-hydroxy-3-((2-hydroxyethyl)methylamino)propyl)theophylline(1:1) (8CI)
  • Xantinol nicotinate

Superlist Names

  • Contamex
  • DEA No. 2772
  • Xanthinol

Registry Numbers

CAS Registry Number

  • 437-74-1

FDA UNII

  • 8G60H12X2D

System Generated Number

  • 0000437741

Molecular Formulas

Molecular Formula

  • C13-H21-N5-O4.C6-H5-N-O2

Molecular Formula Fragments

  • C13-H21-N5-O4
  • C6-H5-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C13H21N5O4.C6H5NO2/c1-15(4-5-19)6-9(20)7-18-8-14-11-10(18)12(21)17(3)13(22)16(11)2;8-6(9)5-2-1-3-7-4-5/h8-9,19-20H,4-7H2,1-3H3;1-4H,(H,8,9)

InChIKey

GEPMAHVDJHFBJI-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(cn2)CC(CN(C)CCO)O.c1cc(cnc1)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intravenous 900mg/kg (900mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 286, 1986.
mouse LD50 intravenous 673mg/kg (673mg/kg)   Yaoxue Tongbao. Bulletin of Pharmacology. Vol. 21, Pg. 291, 1986.
mouse LD50 oral 17350mg/kg (17350mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 9, Pg. 601, 1975.
mouse LD50 subcutaneous 4260mg/kg (4260mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 9, Pg. 601, 1975.
rabbit LD50 intravenous 500mg/kg (500mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 9, Pg. 601, 1975.
rat LD50 intraperitoneal 3010mg/kg (3010mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 15, Pg. 424, 1968.
rat LD50 intravenous 690mg/kg (690mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 9, Pg. 601, 1975.
rat LD50 oral 14130mg/kg (14130mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 9, Pg. 601, 1975.
rat LD50 subcutaneous 4061mg/kg (4061mg/kg)   Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 15, Pg. 424, 1968.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 180 deg C   EXP
log P (octanol-water) -1.760 (none)   EST
Atmospheric OH Rate Constant 1.24E-10 cm3/molecule-sec 25 EST

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