Basic information
- CAS
67-92-5- Standard SMILES
CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1.[Cl-].[H+]- InChIKey
GUBNMFJOJGDCEL-UHFFFAOYSA-N- Molecular formula
- C19H36ClNO2
- Average molar mass
- 345.9 g/mol
- Monoisotopic mass
- 345.2434571
Overview
See also: Dicyclomine Hydrochloride (preferred); Dicyclomine (has active moiety).
Names & identifiers
- Preferred name
- CID 657341
- IUPAC
- 2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate;hydron;chloride
- English name
- Dicyclomine hydrochloride
- Molecular formula
- C19H36ClNO2
- Molecular weight
- 345.95
Names & synonyms
SCHEMBL3051663AKOS026750112DICYCLOMINE HCLDicycloverine HCldyspasatuminBentyl)mamiesanoxityl-pmerbentylMagesan Pbentomine
Database identifiers
- CAS
67-92-5- PubChem CID
- 657341
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- Melting point
- 164 · 164-166°C
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- 2 O: · H2O: 50 mg/mL
- form
- powder
- color
- off-white
- Water Solubility
- 2 O: · H2O: 50mg/mL
- BCS Class
- 2 · 2/4
- InChI
- 1S/C19H35NO2.ClH/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17;/h17H,3-16H2,1-2H3;1H
- InChIKey
- GUBNMFJOJGDCEL-UHFFFAOYSA-N
- SMILES
- CCN(CCOC(C1(C2CCCCC2)CCCCC1)=O)CC.[Cl]
- FDA UNII
- 903 KQA31 · CQ903KQA31
- EPA Substance Registry System
- 2 · 2-Diethylaminoethyl bicyclohexyl-1-carboxylate hydrochloride (67-92-5)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- DT7350000
- hs_code
- 2922199695
- Toxicity
- LD50 orl-rat: 1290 mg/kg DRUGAY 6,317,82
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
DescriptionDicyclomine is an M1 and M2 muscarinic acetylcholine receptor antagonist (Kis = 3.16 and 44.7 nM, respectively). It inhibits inositol phosphate accumulation induced by the non-selective acetylcholine agonist carbamoylcholine (carbachol; ) in guinea pig cortex (Ki = 12 nM; pA2 = 7.88). Dicyclomine (10 mg/kg, i.v.) inhibits potassium-induced contraction of ileum, colon, and duodenum in anesthetized rats by 21.85, 30.81, and 37.86%, respectively. Formulations containing dicyclomine have been used to treat functional and irritable bowel syndrome and to relieve muscle spasms in the gastrointestinal tract.
UsesDicyclomine Hydrochloride can be used as medication to treat gastric diseases.
UsesUsed as a gastrointestinal antispasmodic antacid
Usesanticholinergic
General DescriptionDicyclomine hydrochloride,2-(diethylamino)ethyl bicyclohexyl-1-carboxylatehydrochloride (Bentyl), has some muscarinic receptorsubtype selectivity. It binds more firmly to M1 and M3 thanto M2 and M4 receptors.76Dicyclomine hydrochloride has one eighth of the neurotropicactivity of atropine and approximately twice themusculotropic activity of papaverine. This preparation, firstintroduced in 1950, has minimized the adverse effects associatedwith the atropine-type compounds.
Upstream & downstream products
Upstream raw materials
Suppliers54 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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