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Substance Name: Inositol niacinate [USAN]
RN: 6556-11-2
UNII: A99MK953KZ
InChIKey: MFZCIDXOLLEMOO-GYSGTQPESA-N

Classification Codes

  • Cardiovascular Agents
  • Drug / Therapeutic Agent
  • Vasodilator (Peripheral)
  • Vasodilator Agents

Molecular Formula

  • C42-H30-N6-O12

Molecular Weight

  • 810.729
 
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Names and Synonyms

Name of Substance

  • Inositol niacinate
  • Inositol niacinate [USAN]
  • Inositol nicotinate [INN]

Synonyms

  • 1,2,3,5/4,6 Cyclohexanehexol hexanicotinate
  • 1,2,3,54,6 Cyclohexanehexol hexanicotinate
  • 3-Pyridinecarboxylic acid, 1,2,3,4,5,6-cyclohexanehexayl ester
  • 5-22-02-00067 (Beilstein Handbook Reference)
  • BRN 0077649
  • Dilcit
  • Dilexpal
  • EINECS 229-485-9
  • Esantene
  • Hexanicit
  • Hexanicotinoyl inositol
  • Hexanicotol
  • Hexopal
  • Inositol hexanicotinate
  • Inositol niacinate
  • Inositol nicotinate
  • Inositoli nicotinas
  • Inositoli nicotinas [INN-Latin]
  • Inositolo nicotinato
  • Inositolo nicotinato [DCIT]
  • Linodil
  • Mesonex
  • Mesotal
  • myo-Inositol hexanicotinate
  • Nicotinate d'inositol
  • Nicotinate d'inositol [INN-French]
  • Nicotinato de inositol
  • Nicotinato de inositol [INN-Spanish]
  • NSC 49506
  • Palohex
  • UNII-A99MK953KZ
  • Win 9154

Systematic Names

  • Inositol nicotinate
  • Inositol, hexanicotinate, myo-
  • myo-Inositol, hexa-3-pyridinecarboxylate

Registry Numbers

CAS Registry Number

  • 6556-11-2

FDA UNII

  • A99MK953KZ

Other Registry Numbers

  • 14154-33-7
  • 2090-94-0

System Generated Number

  • 0006556112

Structure Descriptors

InChI

1S/C42H30N6O12/c49-37(25-7-1-13-43-19-25)55-31-32(56-38(50)26-8-2-14-44-20-26)34(58-40(52)28-10-4-16-46-22-28)36(60-42(54)30-12-6-18-48-24-30)35(59-41(53)29-11-5-17-47-23-29)33(31)57-39(51)27-9-3-15-45-21-27/h1-24,31-36H/t31-,32-,33-,34+,35-,36-

InChIKey

MFZCIDXOLLEMOO-GYSGTQPESA-N

Smiles

C1(C(C(C(OC(c2cccnc2)=O)C(C1OC(c1cccnc1)=O)OC(c1cccnc1)=O)OC(c1cccnc1)=O)OC(c1cccnc1)=O)OC(c1cccnc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 6400mg/kg (6400mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Oyo Yakuri. Pharmacometrics. Vol. 7, Pg. 149, 1973.
mouse LD50 intravenous 345mg/kg (345mg/kg)   Drugs in Japan Vol. 6, Pg. 77, 1982.
mouse LD50 oral > 30gm/kg (30000mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 7, Pg. 149, 1973.
mouse LD50 subcutaneous > 5gm/kg (5000mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 14(5), Pg. 741, 1977.
rat LD50 intraperitoneal > 10gm/kg (10000mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 14(5), Pg. 741, 1977.
rat LD50 intravenous 268mg/kg (268mg/kg)   Drugs in Japan Vol. 6, Pg. 77, 1982.
rat LD50 oral > 20gm/kg (20000mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 14(5), Pg. 741, 1977.
rat LD50 subcutaneous 1180mg/kg (1180mg/kg)   Drugs in Japan Vol. 6, Pg. 77, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 254.6 deg C   EXP
log P (octanol-water) 1.580 (none)   EST
Atmospheric OH Rate Constant 3.02E-11 cm3/molecule-sec 25 EST

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