CAS 6556-11-2|inositol nicotinate

Introduction：Basic information about CAS 6556-11-2|inositol nicotinate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. inositol nicotinate BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Synonyms

Common Name	inositol nicotinate
CAS Number	6556-11-2	Molecular Weight	810.721
Density	1.5±0.1 g/cm3	Boiling Point	897.0±65.0 °C at 760 mmHg
Molecular Formula	C₄₂H₃₀N₆O₁₂	Melting Point	254-256ºC
MSDS	/	Flash Point	496.3±34.3 °C

Names

Name	inositol hexanicotinate
Synonym	More Synonyms

inositol nicotinate BiologicalActivity

Description	Inositol nicotinate, with vasodilatory effect, is used in the study of Peripheral arterial disease (PAD)[1].
Related Catalog	Research Areas >>Cardiovascular DiseaseSignaling Pathways >>Others >>Others
References	[1]. H Squires, et al. A systematic review and economic evaluation of cilostazol, naftidrofuryl oxalate, pentoxifylline and inositol nicotinate for the treatment of intermittent claudication in people with peripheral arterial disease. NIHR Health Technology Assessment programme: Executive Summaries.

Chemical & Physical Properties

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
InChIKey	MFZCIDXOLLEMOO-UHFFFAOYSA-N
SMILES	O=C(OC1C(OC(=O)c2cccnc2)C(OC(=O)c2cccnc2)C(OC(=O)c2cccnc2)C(OC(=O)c2cccnc2)C1OC(=O)c1cccnc1)c1cccnc1
Storage condition	-20℃

Toxicological Information

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

Safety Information

Hazard Codes	Xi:Irritant;
Risk Phrases	R36/37/38
Safety Phrases	S26-S36
WGK Germany	2
RTECS	NM7535400
HS Code	2933990090

Customs

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%

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

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