Basic information
- CAS
129-77-1- Standard SMILES
CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1.Cl- InChIKey
RBGWCEWDAHDPEH-UHFFFAOYSA-N- Molecular formula
- C21H26ClNO2
- Average molar mass
- 359.9 g/mol
- Monoisotopic mass
- 359.1652068
Overview
Piperidolate hydrochloride is a diarylmethane.
Names & identifiers
- Preferred name
- Piperidolate Hydrochloride
- IUPAC
- (1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrochloride
- English name
- Piperidolate hydrochloride
- Molecular formula
- C21H26ClNO2
- Molecular weight
- 359.89
Names & synonyms
Piperidolate hydrochloride129-77-1CrapinonPiperidolate HClDactilDactil hydrochloride1-Ethyl-3-piperidyl diphenylacetate hydrochlorideDTXSID6045292NSC-434957UA660ILVDTXCID4025292Benzeneacetic acid, alpha-phenyl-, 1-ethyl-3-piperidinyl ester, hydrochloride
Show more names
NSC 4349Dihyprylonedactilhydrochloride3,3-Diethyl-2,4-piperidinedionePiperidolate Hydrochloride (200 mg)Piperidolate Hydrochloride (1543006)Piperidolate hydrochloride, 10 mM in DMSO
RefChem:174447204-964-5Piperidolate (hydrochloride)Edelel hydrochloridePiperidolate hydrochloride [JAN]N-Ethyl-3-piperidyl diphenylacetate hydrochloride(1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrochloridePiperidolate hydrochloride (JAN)
Database identifiers
- CAS
129-77-1- PubChem CID
- 8520
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 367
Experimental & physicochemical properties
Collision Cross Section177.9 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 195 · 195-196°
- storage temp.
- -20 °C · Store at -20°C
- solubility
- DMSO (Slightly, Heated), Methanol (Slightly), Water (Slightly, Sonicated)
- form
- Solid
- color
- White to Off-White
- FDA UNII
- 57 UA660ILV · 57UA660ILV
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H332-H312
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501
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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H332-H312
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501
Chemistry & industry
Applications
UsesPiperidolate Hydrochloride acts as an anticholinergic agent. Also a potential inhibitor of human glutathione transferase P1-1.
Upstream & downstream products
Upstream raw materials
Suppliers42 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
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]
Aladdin Scientific[email protected]
United Life Science020-82099279 18988968278 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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