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6556-11-2

6556-11-2 structure
6556-11-2 structure
  • Name: inositol nicotinate
  • Chemical Name: inositol hexanicotinate
  • CAS Number: 6556-11-2
  • Molecular Formula: C42H30N6O12
  • Molecular Weight: 810.721
  • Catalog: API Circulatory system medication Peripheral vasodilator
  • Create Date: 2018-09-18 16:47:48
  • Modify Date: 2024-01-02 18:42:12
  • Inositol nicotinate, with vasodilatory effect, is used in the study of Peripheral arterial disease (PAD)[1].

Name inositol hexanicotinate
Synonyms EINECS 229-485-9
Dilcit
1,2,3,4,5,6-Cyclohexanehexayl hexanicotinate
inositol hexanicotinate
Esantene
Inositol Niacinate
Inositoli nicotinas
Cyclohexane-1,2,3,4,5,6-hexayl hexanicotinate
Dilexpal
MFCD00006387
inositol hexnicotinate
hexa-O-nicotinoyl-myo-inositol
Hexanicotinyl cis-1,2,3,5-trans-4,6-Cyclohexane
Palohex
Linodil
inositol nicotinate
hexanicotinoyl inositol
3-Pyridinecarboxylic acid, 1,2,3,4,5,6-cyclohexanehexayl ester
Mesotal
Hexanicit
Mesonex
Hexopal
myo-lnositol Hexa-3-pyridinecarboxylate
hexa-3-pyridinecarboxylate
myo-Inositol hexanicotinate
[2,3,4,5,6-pentakis(pyridine-3-carbonyloxy)cyclohexyl] pyridine-3-carboxylate
Hexa-O-nicotinoyl-myo-inosit
Hexanicotol
Hamovannad
meso-Inositol Hexanicotinate
Density 1.5±0.1 g/cm3
Boiling Point 897.0±65.0 °C at 760 mmHg
Melting Point 254-256ºC
Molecular Formula C42H30N6O12
Molecular Weight 810.721
Flash Point 496.3±34.3 °C
Exact Mass 810.192200
PSA 235.14000
LogP 6.37
Vapour Pressure 0.0±0.3 mmHg at 25°C
Index of Refraction 1.675
Storage condition -20℃

Section 1. Chemical Product and Company Identification
Inositol hexanicotinateCatalog
Common Name/
Number(s).
Trade Name
CAS#6556-11-2
Manufacturer
RTECSNM7535400
SPECTRUM CHEMICAL MFG. CORP.
TSCATSCA 8(b) inventory: No
products were found.
Commercial Name(s)Not available.
CI# Not available.
SynonymHexanicotinyl cis-1,2,3,5-trans-4,6-cyclohexane
IN CASE OF EMERGENCY
Not available.
Chemical Name
Chemical FamilyNot available.CALL (310) 516-8000
C42H30N6O12
Chemical Formula
SPECTRUM CHEMICAL MFG. CORP.

Section 2.Composition and Information on Ingredients
Exposure Limits
TWA (mg/m3)STEL (mg/m3) CEIL (mg/m3)
NameCAS #% by Weight
1) Inositol hexanicotinate6556-11-2100
Toxicological DataNot applicable.
on Ingredients

Section 3. Hazards Identification
Potential Acute Health Effects Hazardous in case of ingestion. Slightly hazardous in case of skin contact (irritant), of eye contact (irritant), of
inhalation.
Potential Chronic HealthHazardous in case of ingestion.
Slightly hazardous in case of skin contact (irritant), of eye contact (irritant), of inhalation.
Effects
CARCINOGENIC EFFECTS: Not available.
MUTAGENIC EFFECTS: Not available.
TERATOGENIC EFFECTS: Not available.
DEVELOPMENTAL TOXICITY: Not available.
Inositol hexanicotinate

Section 4. First Aid Measures
Eye ContactNo known effect on eye contact, rinse with water for a few minutes.
Skin ContactAfter contact with skin, wash immediately with plenty of water. Gently and thoroughly wash the contaminated skin
with running water and non-abrasive soap. Be particularly careful to clean folds, crevices, creases and groin.
Cover the irritated skin with an emollient. If irritation persists, seek medical attention. Wash contaminated
clothing before reusing.
Serious Skin ContactNot available.
InhalationAllow the victim to rest in a well ventilated area. Seek immediate medical attention.
Serious InhalationNot available.
IngestionDo not induce vomiting. Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not
breathing, perform mouth-to-mouth resuscitation. Seek immediate medical attention.
Serious IngestionNot available.

Section 5. Fire and Explosion Data
Flammability of the Product May be combustible at high temperature.
Auto-Ignition Temperature Not available.
Flash PointsNot available.
Flammable LimitsNot available.
These products are carbon oxides (CO, CO2), nitrogen oxides (NO, NO2...).
Products of Combustion
Fire Hazards in Presence of Not available.
Various Substances
Explosion Hazards in Presence Risks of explosion of the product in presence of mechanical impact: Not available.
of Various SubstancesRisks of explosion of the product in presence of static discharge: Not available.
Fire Fighting MediaSMALL FIRE: Use DRY chemical powder.
and InstructionsLARGE FIRE: Use water spray, fog or foam. Do not use water jet.
Special Remarks onNot available.
Fire Hazards
Special Remarks on Explosion Not available.
Hazards

Section 6. Accidental Release Measures
Small SpillUse appropriate tools to put the spilled solid in a convenient waste disposal container. Finish cleaning by
spreading water on the contaminated surface and dispose of according to local and regional authority
requirements.
Large Spill
Use a shovel to put the material into a convenient waste disposal container. Finish cleaning by spreading water
on the contaminated surface and allow to evacuate through the sanitary system.
Inositol hexanicotinate

Section 7. Handling and Storage
PrecautionsKeep away from heat. Keep away from sources of ignition. Empty containers pose a fire risk, evaporate the
residue under a fume hood. Ground all equipment containing material. Do not breathe dust.
StorageKeep container dry. Keep in a cool place. Ground all equipment containing material. Keep container tightly
closed. Keep in a cool, well-ventilated place. Combustible materials should be stored away from extreme heat
and away from strong oxidizing agents.

Section 8. Exposure Controls/Personal Protection
Engineering ControlsUse process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below
recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to
airborne contaminants below the exposure limit.
Personal ProtectionSafety glasses. Lab coat. Dust respirator. Be sure to use an approved/certified respirator or equivalent. Gloves.
Personal Protection in Case of Splash goggles. Full suit. Dust respirator. Boots. Gloves. A self contained breathing apparatus should be used
a Large Spillto avoid inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist
BEFORE handling this product.
Exposure LimitsNot available.

Section 9. Physical and Chemical Properties
Physical state and appearance Solid.Not available.
Odor
TasteNot available.
Molecular Weight810.7 g/mole
ColorNot available.
pH (1% soln/water)Not available.
Boiling PointDecomposes.
Melting Point254.5°C (490.1°F)
Critical TemperatureNot available.
Not available.
Specific Gravity
Vapor PressureNot applicable.
Not available.
Vapor Density
VolatilityNot available.
Not available.
Odor Threshold
Water/Oil Dist. Coeff.Not available.
Ionicity (in Water)Not available.
Not available.
Dispersion Properties
SolubilityNot available.

Section 10. Stability and Reactivity Data
StabilityThe product is stable.
Instability TemperatureNot available.
Conditions of InstabilityNot available.
Incompatibility with variousNot available.
substances
CorrosivityNon-corrosive in presence of glass.
Inositol hexanicotinate
Not available.
Special Remarks on
Reactivity
Not available.
Special Remarks on
Corrosivity
PolymerizationNo.

Section 11. Toxicological Information
Routes of EntryIngestion.
Toxicity to AnimalsLD50: Not available.
LC50: Not available.
Chronic Effects on Humans Not available.
Other Toxic Effects on
Hazardous in case of ingestion.
HumansSlightly hazardous in case of skin contact (irritant), of inhalation.
Special Remarks on
Not available.
Toxicity to Animals
Special Remarks onNot available.
Chronic Effects on Humans
Special Remarks on otherNot available.
Toxic Effects on Humans

Section 12. Ecological Information
EcotoxicityNot available.
Not available.
BOD5 and COD
Possibly hazardous short term degradation products are not likely. However, long term degradation products may
Products of Biodegradation
arise.
Toxicity of the ProductsThe products of degradation are more toxic.
of Biodegradation
Special Remarks on theNot available.
Products of Biodegradation

Section 13. Disposal Considerations
Waste Disposal

Section 14. Transport Information
DOT ClassificationNot a DOT controlled material (United States).
IdentificationNot applicable.
Not applicable.
Special Provisions for
Transport
DOT (Pictograms)
Inositol hexanicotinate

Section 15. Other Regulatory Information and Pictograms
TSCA 8(b) inventory: No products were found.
Federal and State
Regulations
California
Proposition 65
Warnings
Other RegulationsNot available..
WHMIS (Canada) Not controlled under WHMIS (Canada).
Other Classifications
DSCL (EEC)This product is not classified according
to the EU regulations.
Health Hazard
HMIS (U.S.A.)1 National Fire Protection
1 Flammability
1 Association (U.S.A.)
Fire Hazard
1 0 Reactivity
Health
Reactivity
0
Specific hazard
Personal Protection
E
WHMIS (Canada)
(Pictograms)
DSCL (Europe)
(Pictograms)
TDG (Canada)
(Pictograms)
ADR (Europe)
(Pictograms)
Protective Equipment
Gloves.
Lab coat.
Dust respirator. Be sure to use an
approved/certified respirator or
equivalent.
Safety glasses.


SECTION 16 - ADDITIONAL INFORMATION
N/A

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NM7535400
CHEMICAL NAME :
Inositol, hexanicotinate, myo-
CAS REGISTRY NUMBER :
6556-11-2
BEILSTEIN REFERENCE NO. :
0077649
LAST UPDATED :
199612
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C42-H30-N6-O12
MOLECULAR WEIGHT :
810.78

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>20 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 14(5),741,1977
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>10 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 14(5),741,1977
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,77,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
268 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,77,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>30 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 7,149,1973
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
6400 mg/kg
TOXIC EFFECTS :
Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - other changes
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 7,149,1973
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 14(5),741,1977
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
345 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,77,1982
Hazard Codes Xi:Irritant;
Risk Phrases R36/37/38
Safety Phrases S26-S36
WGK Germany 2
RTECS NM7535400
HS Code 2933990090

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6556-11-2 structure

6556-11-2

Literature: Journal of the American Chemical Society, , vol. 69, p. 2907

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6556-11-2 structure

6556-11-2

Literature: Pharmaceutical Chemistry Journal, , vol. 27, # 8 p. 562 - 565 Khimiko-Farmatsevticheskii Zhurnal, , vol. 27, # 8 p. 24 - 27

~%

6556-11-2 structure

6556-11-2

Literature: Pharmaceutical Chemistry Journal, , vol. 27, # 8 p. 562 - 565 Khimiko-Farmatsevticheskii Zhurnal, , vol. 27, # 8 p. 24 - 27
HS Code 2933399090
Summary 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%