Benproperine

HCID 2326
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Basic information

CAS
2156-27-6
Standard SMILES
CC(COc1ccccc1Cc1ccccc1)N1CCCCC1
InChIKey
JTUQXGZRVLWBCR-UHFFFAOYSA-N
Molecular formula
C21H27NO
Average molar mass
309.4 g/mol
Monoisotopic mass
309.20926448

Overview

1-[1-[2-(phenylmethyl)phenoxy]propan-2-yl]piperidine is a diarylmethane.

Names & identifiers

Preferred name
Benproperine
IUPAC
1-[1-(2-benzylphenoxy)propan-2-yl]piperidine
English name
BENPROPERINE
Molecular formula
C21H27NO
Molecular weight
309.45

Names & synonyms

Benproperine2156-27-6CofrelbenproperinaBenproperinum1-(2-(2-Benzylphenoxy)-1-methylethyl)piperidine3AA6IZ48YKASA 158/5 FREE BASEASA-158/5 FREE BASEDTXSID108628531-(1-Methyl-2-((alpha-phenyl-o-tolyl)oxy)ethyl)piperidineRefChem:117022
Show more names
pirexylBenproperinBRN 1258822BRN-1258822BemproperinaBenproperine MonomerBENPROPERINE USP/EP/BP1-(2-Benzylphenoxy)-2-piperidinopropane
ASA-158-5 free baseCHEBI:37560DTXCID90811566R05DB02ASA-158-51-(1-methyl-2-(2-(phenylmethyl)phenoxy)ethyl)-piperidine and 4,4'-methylenebis(3-hydroxy-2-naphthalenecarboxylate) (2:1)1-[1-(2-benzylphenoxy)propan-2-yl]piperidineBenproperine [INN]

Database identifiers

CAS
2156-27-6
PubChem CID
2326
DTXSID
DTXSID10862853
ChEMBL
CHEMBL2105910
ChEBI
CHEBI:94380
UNII
3AA6IZ48YK
Nikkaji
J7.339C

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
12.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
6
Heavy atoms
23

Experimental & physicochemical properties

DrugsPharmaceuticals

Physicochemical properties

Boiling point
0.2 · bp0.2 159-161°
Density
1.035 · 1.0350 (rough estimate)
refractive index
1.5614 · 1.5614 (estimate)
solubility
1 · DMSO:1.0(Max Conc. mg/mL);3.23(Max Conc. mM)PBS (pH:7.2):1.0(Max Conc. mg/mL);3.23(Max Conc. mM)
pka
9.46 · 9.46±0.50(Predicted)
InChI
InChI=1S/C21H27NO/c1-18(22-14-8-3-9-15-22)17-23-21-13-7-6-12-20(21)16-19-10-4-2-5-11-19/h2,4-7,10-13,18H,3,8-9,14-17H2,1H3

Safety & regulation

Safety data

Toxicity
LD50 orally in mice: 1087 mg/kg (Tellini, De Fina)

Chemistry & industry

Pharmacology

ATC Code · 2 items

R - Respiratory system

QR - Respiratory system

Uses & manufacturing

UsesUse (kg; approx.) in Germany (2009): >25

Applications

UsesIt is used to treat acute bronchitis and coughs caused by various reasons such as infection, smoking, irritants, and allergies. It is particularly effective for irritating dry coughs.

Upstream & downstream products

Upstream raw materials

Suppliers25 total

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
河南仟德药业有限公司19103869591 · [email protected]
武汉鹏胤药业有限公司13163333255 · [email protected]

Additional notes

DefinitionChEBI: 1-[1-[2-(phenylmethyl)phenoxy]propan-2-yl]piperidine is a diarylmethane.

Related reactions

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Compound notes

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