Basic information
- CAS
76-90-4- Standard SMILES
C[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1.[Br-]- InChIKey
JRRNZNSGDSFFIR-UHFFFAOYSA-M- Molecular formula
- C21H26BrNO3
- Average molar mass
- 420.3 g/mol
- Monoisotopic mass
- 419.10961
Overview
Mepenzolate bromide is a diarylmethane.
Names & identifiers
- Preferred name
- Mepenzolate Bromide
- IUPAC
- (1,1-dimethylpiperidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate bromide
- English name
- MEPENZOLATE BROMIDE
- Molecular formula
- C21H26BrNO3
- Molecular weight
- 420.34
Names & synonyms
MEPENZOLATE BROMIDE76-90-4CantilBromure de mepenzolateBromuro de mepenzolatoMepenzolati bromidum3-Hydroxy-1,1-dimethylpiperidinium bromide benzilateDTXSID4023252NSC-4358APX8D32IX1AN-6437HY-17585
Show more names
mepenzolatejb340ColumcantrilDelevilEftoronCantilonNSC 4358Colopiril
FT-0671006DTXCID003252mepenzolic acid, bromine saltmApenzolatemepenzolato bromuroRefChem:56578N-methyl-3-piperidylbenzilate methyl bromideA03AB12
Database identifiers
- CAS
76-90-4- PubChem CID
- 6461
- DTXSID
DTXSID4023252- ChEMBL
CHEMBL1724- ChEBI
CHEBI:6753- UNII
- APX8D32IX1
- EC Number
Properties
Computed structural properties
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 432
Experimental & physicochemical properties
Solubility>63.1 [ug/mL] (The mean of the results at pH 7.4)
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Collision Cross Section180.7 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 228 · 228-229°C dec.
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly, Heated), Water (Slightly)
- form
- Solid
- color
- White to Off-White
- Major Application
- forensics and toxicologypharmaceutical (small molecule)veterinary
- InChI
- 1S/C21H26NO3.BrH/c1-22(2)15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18;/h3-8,10-13,19,24H,9,14-16H2,1-2H3;1H
- InChIKey
- FOPUTUUUOOOXQU-UHFFFAOYSA-N
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Other Safety InformationIMAP assessments - Piperidinium, 3-[(hydroxydiphenylacetyl)oxy]-1,1-dimethyl-,bromide: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Toxicology
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Mepenzolate bromide
vNo-DILI-concern
0
No match
DOI:10.1016/j.drudis.2016.02.015
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- TN5710000
- Toxicity
- LD50 orally in rats: 742±47 mg/kg (Goldenthal)
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
Chemistry & industry
Applications
UsesUsed as an anticholinergic
General DescriptionMepenzolate bromide, 3-hydroxy-1,1-dimethylpiperidinium bromide benzilate (Cantil),has an activity about one half that of atropine in reducingACh-induced spasms of the guinea pig ileum. The selectiveaction on colonic hypermotility is said to relieve pain, cramps,and bloating and to help curb diarrhea.
Upstream & downstream products
Upstream raw materials
Suppliers50 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
成都梓永智研生物科技有限公司17780686372 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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