Dropropizine

HCID 3169CAS 17692-31-8
Substructure searchFind similar structures

Basic information

Standard SMILES
OCC(O)CN1CCN(c2ccccc2)CC1
InChIKey
PTVWPYVOOKLBCG-UHFFFAOYSA-N
Molecular formula
C13H20N2O2
Average molar mass
236.31 g/mol
Monoisotopic mass
236.15247788

Overview

3-(4-phenyl-1-piperazinyl)propane-1,2-diol is a member of piperazines.

Names & identifiers

Preferred name
Dropropizine
IUPAC
3-(4-phenylpiperazin-1-yl)propane-1,2-diol
English name
Dropropizine
Molecular formula
C13H20N2O2
Molecular weight
236.31

Names & synonyms

dropropizine17692-31-83-(4-phenylpiperazin-1-yl)propane-1,2-diolDipropizineCatabexKatrilDitustatTussilexLarylinRibexDopropizin(+-)-Dropropizine
Show more names
UCB-196gevotuss
DropropizinaDropropizinum1,2-Propanediol, 3-(4-phenyl-1-piperazinyl)-3-(4-Phenyl-1-piperazinyl)-1,2-propanediolUCB-1967DTXSID0045624UCB 1967U0K8WHL37U

Database identifiers

CAS
17692-31-8
PubChem CID
3169
DTXSID
DTXSID0045624
ChEMBL
CHEMBL151445
ChEBI
CHEBI:93837
UNII
U0K8WHL37U
EC Number
241-683-7
Nikkaji
J10.152D

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
46.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
17

Experimental & physicochemical properties

DrugsPharmaceuticals
LogP0.84
Solubility>35.4 [ug/mL] (The mean of the results at pH 7.4)
Collision Cross Section · 2 items

155.7 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

158.03 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Physicochemical properties

Melting point
105 ° · 105° (Morren); mp 108° (Bourdais)
Boiling point
205 °C · 205 °C(Press: 1 Torr)
Density
1.168 · 1.168±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
solubility
Chloroform (Sparingly), Methanol (Slightly)
form
Solid

Safety & regulation

GHS classification

GHS Classification · 4 items

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 44 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Other Safety InformationIMAP assessments - 1,2-Propanediol, 3-(4-phenyl-1-piperazinyl)-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

wgk
3
rtecs
TZ1074800
Toxicity
LD50 in rats (mg/kg): 200 i.v., 750 orally (Morren)
risk_code
22
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Pharmacology

ATC Code · 2 items

R - Respiratory system

QR - Respiratory system

MeSH Pharmacological ClassificationAgents that suppress cough. They act centrally on the medullary cough center. EXPECTORANTS, also used in the treatment of cough, act locally.

Uses & manufacturing

UsesUse (kg; approx.) in Germany (2009): >100

Applications

Usesantitussive

UsesDropropizine is a cough suppressant and central sedative therapeutic agent.

Upstream & downstream products

Suppliers50 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海策嵘生物科技有限公司[email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]

Additional notes

DefinitionChEBI: 3-(4-phenyl-1-piperazinyl)propane-1,2-diol is a member of piperazines.

Related reactions

1 records
New reaction record

Linked notes

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