CAS Registry Number®
456-59-7
CAS Name
Cyclandelate
Molecular Formula
C17H24O3
Molecular Mass
276.37
Compound Properties
-
Boiling Point (1)
192-194 °C @ Press: 14 Torr
-
Melting Point (1)
50-53 °C
Source(s)
- (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)
Other Names and Identifiers
InChI
InChI=1S/C17H24O3/c1-12-9-14(11-17(2,3)10-12)20-16(19)15(18)13-7-5-4-6-8-13/h4-8,12,14-15,18H,9-11H2,1-3H3
InChIKey
InChIKey=WZHCOOQXZCIUNC-UHFFFAOYSA-N
SMILES
O(C(C(O)C1=CC=CC=C1)=O)C2CC(C)(C)CC(C)C2
Canonical SMILES
O=C(OC1CC(C)CC(C)(C)C1)C(O)C=2C=CC=CC2
Other Names for this Substance
- Benzeneacetic acid, α-hydroxy-, 3,3,5-trimethylcyclohexyl ester
- Mandelic acid, 3,3,5-trimethylcyclohexyl ester
- Cyclohexanol, 3,3,5-trimethyl-, mandelate
- BS 572
- Cyclandelate
- Cyclospasmol
- 3,5,5-Trimethylcyclohexanol, mandelic acid ester
- 3,3,5-Trimethylcyclohexanol α-phenyl-α-hydroxyacetate
- 3,5,5-Trimethylcyclohexyl amygdalate
- 3,3,5-Trimethylcyclohexyl mandelate
- 3,5,5-Trimethylcyclohexyl mandelate
- Cyclolyt
- Cyclomandol
- Perebral
- Spasmocyclon
- Sepyron
- Spasmione
- Arto-Espasmol
- Dilatan
- Capilan
- Ciclospasmol
- Clandilon
- Saiclate
- Sancyclan
- Natil
- Novodil
- Cyclergine
- Cyclobral
- (3,3,5-Trimethylcyclohexyl) 2-hydroxy-2-phenylacetate
- MeSH ID: D003495
Deleted or Replaced CAS Registry Numbers
28283-32-1, 54110-27-9
