Basic information
- CAS
3608-67-1- Standard SMILES
CN1CCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)CC1- InChIKey
UGYPGJCVNPPUPE-UHFFFAOYSA-N- Molecular formula
- C20H23NO3
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.1677936
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- 1-Methyl-4-piperidyl benzilate
- IUPAC
- (1-methylpiperidin-4-yl) 2-hydroxy-2,2-diphenylacetate
- English name
- 1-methyl-4-piperidyl diphenylglycolate
- Molecular formula
- C20H23NO3
- Molecular weight
- 325.40152
Names & synonyms
Enpiperate3608-67-14-NMPB1-Methyl-4-piperidyl diphenylglycolate1-Methyl-4-piperidyl benzilateN-Methyl-4-piperidyl benzilateQWK86805EBN-methyl-4-piperidinyl benzilateNSC-172167DTXSID201896644-(3,5)-exocycloproyl-N-methylpiperidyl diphenylhydroxyacetatealpha-Hydroxy-alpha-phenylbenzeneacetic acid, 1-methyl-4-piperidinyl ester
Show more names
IT 97JB 8191Propiverine hydrochloride IHS Impurity B1-methylpiperidin-4-yl hydroxy(diphenyl)acetate
RefChem:590852N-methyl-4-piperidylbenzylateDTXCID80112155B-7601222-774-01-methylpiperidin-4-yl 2-hydroxy-2,2-diphenylacetate[3H]4NMPBNSC 172167
Database identifiers
- CAS
3608-67-1- PubChem CID
- 77157
- DTXSID
DTXSID20189664- ChEMBL
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 387
Physicochemical properties
- Melting point
- 161 · 161-162 °C
- Boiling point
- 415.9 · 415.9±34.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- pka
- 11.29 · 11.29±0.29(Predicted)
- FDA UNII
- 86805 EB · QWK86805EB
- Symbol(GHS)
- 7 · GHS07,GHS08,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H335-H319-H411
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
- REACH Registrations
- Active
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]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P304+P340, P305+P351+P338, P319, P330, P337+P317, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationStatus: Active Update: 28-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26113
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08,GHS09
- Hazard statements
- H302-H335-H319-H411
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
A class of drugs that act by selective inhibition of calcium influx through cellular membranes.
Agents that inhibit the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the MUSCARINIC ANTAGONISTS.
Suppliers23 total
HubeiwidelychemicaltechnologyCo.,Ltd18627774460 · [email protected]
Shanghai Yingrui Biopharma Co.,Ltd21-33585366 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
北京亿思研科技开发中心010-56645598 13366904824 · [email protected]
北京桦冠医药科技有限公司17302533743 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
陕西晶和医药科技有限公司029-86062279 13324594253 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
常州安奈凯医药科技有限公司+86-0519-8359-8696 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
北京维达化工有限公司
Related reactions
6 records
Compound notes
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