CAS 456-59-7|cyclandelate

Introduction:Basic information about CAS 456-59-7|cyclandelate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Namecyclandelate
CAS Number456-59-7Molecular Weight276.371
Density1.1±0.1 g/cm3Boiling Point380.1±22.0 °C at 760 mmHg
Molecular FormulaC17H24O3Melting Point55.0-56.5°
MSDS/Flash Point150.1±15.1 °C
Symbol
GHS07
Signal WordWarning

Names

Namecyclandelate
SynonymMore Synonyms

cyclandelate BiologicalActivity

DescriptionCyclandelate is a vasodilator used in the treatment of claudication, arteriosclerosis, and Raynaud's disease. It is also used to treat nighttime leg cramps, and has been investigated for its effect against migraine.
Related CatalogSignaling Pathways >>Others >>OthersResearch Areas >>Cardiovascular Disease

Chemical & Physical Properties

Density1.1±0.1 g/cm3
Boiling Point380.1±22.0 °C at 760 mmHg
Melting Point55.0-56.5°
Molecular FormulaC17H24O3
Molecular Weight276.371
Flash Point150.1±15.1 °C
Exact Mass276.172546
PSA46.53000
LogP4.49
Vapour Pressure0.0±0.9 mmHg at 25°C
Index of Refraction1.533
InChIKeyWZHCOOQXZCIUNC-UHFFFAOYSA-N
SMILESCC1CC(OC(=O)C(O)c2ccccc2)CC(C)(C)C1

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OO8200000
CHEMICAL NAME :
Mandelic acid, 3,3,5-trimethylcyclohexyl ester
CAS REGISTRY NUMBER :
456-59-7
LAST UPDATED :
199701
DATA ITEMS CITED :
9
MOLECULAR FORMULA :
C17-H24-O3
MOLECULAR WEIGHT :
276.41
WISWESSER LINE NOTATION :
L6TJ A1 A1 C1 EOVYQR

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 :
5 gm/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: 6,310,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2570 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - ataxia Lungs, Thorax, or Respiration - other changes
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 105,145,1956
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>10 gm/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: 6,310,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3780 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - ataxia Lungs, Thorax, or Respiration - other changes
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 105,145,1956
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
2 gm/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - ataxia Lungs, Thorax, or Respiration - other changes
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 105,145,1956
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
3950 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - ataxia Lungs, Thorax, or Respiration - other changes
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 105,145,1956
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
2480 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - ataxia Lungs, Thorax, or Respiration - other changes
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 105,145,1956 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4828 No. of Facilities: 42 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 457 (estimated) No. of Female Employees: 234 (estimated)

Safety Information

Symbol
GHS07
Signal WordWarning
Hazard StatementsH319
Precautionary StatementsP305 + P351 + P338
Hazard CodesXi
RIDADRNONH for all modes of transport
RTECSOO8200000
HS Code2942000000

Customs

HS Code2918199090
Summary2918199090 other carboxylic acids with alcohol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

Synonyms

cyclospasmol
Capilan
Benzeneacetic acid, α-hydroxy-, 3,3,5-trimethylcyclohexyl ester
Lejopan
3,3,5-Trimethylcyclohexanol a-Phenyl-a-hydroxyacetate
cyclandelate
bs572
EINECS 207-271-6
3,3,5-Trimethylcyclohexyl hydroxy(phenyl)acetate
mandelic acid
Mandelsaeure-<3,5,5-trimethyl-cyclohexylester>
a-Hydroxybenzeneacetic Acid 3,3,5-Trimethylcyclohexyl Ester
Novodil
3.3.5-Trimethylcyclohexyl-mandelat
Anaspat
Dilatan
Sepyron
Mandelic Acid 3,3,5-Trimethylcyclohexyl Ester
UNII:4139O1OAY2
Natil
Cydel
3,3,5-TriMethylcyclohexyl Mandelate
CAS 81171-22-4|1-Methylethyl 2-hydroxyethanesulfonate
CAS 946321-92-2|N-(4-acetylphenyl)-4-(3-(4-ethoxyphenyl)-6-oxopyridazin-1(6H)-yl)butanamide
Recommended......
TOP