Basic information
- CAS
125-51-9- Standard SMILES
CC[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1.[Br-]- InChIKey
XEDCWWFPZMHXCM-UHFFFAOYSA-M- Molecular formula
- C22H28BrNO3
- Average molar mass
- 434.4 g/mol
- Monoisotopic mass
- 433.12526
Names & identifiers
- Preferred name
- Pipenzolate Bromide
- IUPAC
- (1-ethyl-1-methylpiperidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate bromide
- English name
- BENZILIC ACID 1-ETHYLPIPERIDIN-3-YL ESTER METHOBROMIDE
- Molecular formula
- C22H28BrNO3
- Molecular weight
- 434.37
Names & synonyms
PIPENZOLATE BROMIDE125-51-9PiptalBromure de pipenzolateBromuro de pipenzolatoPipenzolate methylbromidePipenzolato bromuroPipenzolati bromidumJB-323PIPENZOLONE BROMIDEDTXSID2023480JPX41DUS2B
Show more names
PipenzolateqpbpipenzolatemethobromidePIPENZOLATE BROMIDE(SH)pipenzolatemethylbromideXEDCWWFPZMHXCM-UHFFFAOYSA-M
NSC-43471-Ethyl-3-hydroxy-1-methylpiperidinium bromide benzilateDTXCID503480RefChem:174383A03AB14204-741-2PiptalakePiptil
Database identifiers
- CAS
125-51-9- PubChem CID
- 657306
- DTXSID
DTXSID2023480- ChEMBL
CHEMBL1401367- UNII
- JPX41DUS2B
- EC Number
- 204-741-2
Properties
Computed structural properties
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 450
Experimental & physicochemical properties
Collision Cross Section183.8 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 179 · 179-180°
- form
- powder
- color
- white
- FDA UNII
- 41 DUS2B · JPX41DUS2B
- ATC code
- 3 AB14 · A03AB14
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · 3
- RTECS
- 5425000 · TN5425000
- Toxicity
- 50 oral · LD50 oral in rat: 916mg/kg
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 42 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Other Safety InformationIMAP assessments - Piperidinium, 1-ethyl-3-[(hydroxydiphenylacetyl)oxy]-1-methyl-, bromide: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- rtecs
- TN5425000
- Toxicity
- LD50 oral in rat: 916mg/kg
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesPiptalake is used in the treatment with copper-tolylterpyridine and platinum-tolylterpyridine that targets telomeres and telomerase for regulation of chromosome mis-segregation rates for cancer therapy.
Usesantispasmodic
Upstream & downstream products
Upstream raw materials
Suppliers16 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Target molecule Corp.857-239-0968 · [email protected]
深圳市祥根生物医药有限公司0755-28967200 13631290199 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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