Completing data — usually done within a minute
Basic information
- Standard SMILES
CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1- InChIKey
CFJMRBQWBDQYMK-UHFFFAOYSA-N- Molecular formula
- C20H31NO3
- Average molar mass
- 333.472 g/mol
- Monoisotopic mass
- 333.23039385
Names & identifiers
- Preferred name
- Carbetapentane
- IUPAC
- 2-[2-(Diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate
- English name
- Pentoxyverine
- Molecular formula
- C20H31NO3
- Molecular weight
- 333.46
Names & synonyms
PENTOXIFYLLINECarbetapentaneUrexTuclasePentoxyverine Baseucb2543AtussilSedotussinu.c.b.2543U.C.B. 2543
Database identifiers
- CAS
77-23-6- PubChem CID
- 2562
- DTXSID
DTXSID9022734- ChEMBL
CHEMBL73234- ChEBI
CHEBI:94484- UNII
- 32C726X12W
- EC Number
- 201-014-1
- Nikkaji
- J4.198J
Properties
Physicochemical properties
- Boiling point
- 165 · 165-170 °C (1.33Pa)
- Density
- 1.048 · 1.048±0.06 g/cm3(Predicted)
- refractive index
- 1.499 · 1.4990-1.5010
- storage temp.
- Refrigerator
- solubility
- Dichloromethane (Slightly), Methanol (Slightly)
- pka
- 9.69 · 9.69±0.25(Predicted)
- form
- Oil
- color
- Clear Very Dark Red to Brown
- CAS DataBase Reference
- 77 · 77-23-6(CAS DataBase Reference)
- FDA UNII
- 32 C726X12W · 32C726X12W
- ATC code
- 5 DB05 · R05DB05
- NIST Chemistry Reference
- 1 · 1-Cyclopentanecarboxylate, 2-(diethylaminoethoxy)ethyl-1-phenyl-(77-23-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazardous Substances Data
- 77 · 77-23-6(Hazardous Substances Data)
- Toxicity
- 50 oral · LD50 oral in rat: 150mg/kg
Safety & regulation
Safety data
- Toxicity
- LD50 oral in rat: 150mg/kg
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
- Hazardous Substances Data
- 77-23-6(Hazardous Substances Data)
Chemistry & industry
Applications
UsesCarbetapentane is an antitussive anticonvulsant sigma site agonist.
Upstream & downstream products
Upstream raw materials
Suppliers50 total
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
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Additional notes
DefinitionChEBI: 1-phenyl-1-cyclopentanecarboxylic acid 2-[2-(diethylamino)ethoxy]ethyl ester is a member of benzenes.
Related reactions
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