cyclandelate

Description

cyclandelate · CAS 456-59-7 · C17H24O3. UNII 4139O1OAY2. Boiling Point: 193; Boiling Point: 192-194 °C @ 14 MM HG; Melting Point: 50-53.

Identification

CAS Registry Number	456-59-7
PubChem CID	2893
Molecular formula	C17H24O3
IUPAC name	(3,3,5-trimethylcyclohexyl) 2-hydroxy-2-phenylacetate
UNII (FDA)	4139O1OAY2

Computed Descriptors

Molecular Weight	276.4
XLogP3	4.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	276.17254462
Monoisotopic Mass	276.17254462
Topological Polar Surface Area	46.5
Heavy Atom Count	20
Formal Charge	0

Physical & Chemical Properties

Boiling Point	193
Boiling Point	192-194 °C @ 14 MM HG
Melting Point	50-53
Melting Point	50-53 °C
Melting Point	56 °C
Solubility	9.97e-02 g/L

Physical description & handling notes

• Solid
• CRYSTALS
• PRACTICALLY INSOL IN WATER; SOL IN LIPOIDS & THEIR SOLVENTS
• FREELY SOL IN PETROLEUM ETHER, ETHANOL; SOL IN DIETHYL ETHER, ACETONE
• 186.2 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 156.39 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

GHS Hazard Classification

Reported hazard statements	H319 (97.5%)

Documented Uses

• PREPD BY ESTERIFICATION OF MANDELIC ACID WITH 3, 3,5-TRIMETHYLCYCLOHEXANOL USING SULFURIC ACID AS CATALYST: BROCK ET AL, ARZNEIMITTEL-FORSCH 2, 165 (1952); FUNCKE ET AL, IBID 3, 503 (1953)...BRITISH PATENT 707.227 (1954 TO BROCADES-STHEEMAN). PURIFICATION: FLITTER, US PATENT 3,663,597 (1972 TO AMERICAN HOME PRODUCTS).
• Benzeneacetic acid, .alpha.-hydroxy-, 3,3,5-trimethylcyclohexyl ester: ACTIVE
• Used in the treatment of various blood vessel diseases (e.g., claudication, arteriosclerosis and Raynaud's disease) and nighttime leg cramps.
• Cyclandelate (Class: Other Substances, Added Date: 10-1998)
• IT RELAXES VASCULAR SMOOTH MUSCLE & ERRATICALLY INCR BLOOD FLOW. IT IS USED IN TREATMENT OF THROMBOPHLEBITIS, RAYNAUD'S DISEASE, THROMBO-ANGIITIS OBLITERANS, DIABETIC ANGIOSES, INTERMITTENT CLAUDICATION, ARTERIOSCLEROSIS, ERYTHROCYANOSIS, FROSTBITE, & REFRACTORY SKIN ULCERS.
• CYCLANDELATE HAS BEEN USED IN ALMOST EVERY KNOWN TYPE OF VASCULAR DISEASE, BUT ITS VALUE HAS NOT BEEN CONVINCINGLY DEMONSTRATED IN ANY.

Synonyms

cyclandelate; 456-59-7; Cyclomandol; Cyclolyt; Cyclospasmol; Perebral; Spasmione; Capilan; Sepyron; Ciclandelato; Ciclospasmol; Clandilon; Cyclergine; Cyclobral; Saiclate; Sancyclan

Frequently Asked Questions

What are the CAS number and molecular formula of cyclandelate?

CAS 456-59-7; molecular formula C17H24O3; molecular weight — g/mol.

What other names is cyclandelate known by?

cyclandelate, 456-59-7, Cyclomandol, Cyclolyt, Cyclospasmol, Perebral.

Is cyclandelate classified as hazardous?

Hazard statements reported: H319.

What are the key physical properties of cyclandelate?

Boiling Point: 193; Boiling Point: 192-194 °C @ 14 MM HG; Melting Point: 50-53; Melting Point: 50-53 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.