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Details

Stereochemistry ACHIRAL
Molecular Formula C20H31NO3
Molecular Weight 333.465
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENTOXYVERINE

SMILES

CCN(CC)CCOCCOC(=O)C1(CCCC1)C2=CC=CC=C2

InChI

InChIKey=CFJMRBQWBDQYMK-UHFFFAOYSA-N
InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C20H31NO3
Molecular Weight 333.465
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Pentoxyverine is a non-opioid antitussive used to prevent cough caused by common cold. It is used as an active ingredient of several oral over-the-counter cough suppressants alone or in combination with other medications, especially decongestants. Certuss is a combination of pentoxyverine and guaifenesin. Pentoxyverine is FDA pregnancy category C drug. Known as anticonvulsant, and spasmolytic agent.

CNS Activity

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
75.0 nM [Ki]

Conditions

ConditionModalityTargetsHighest PhaseProduct
Preventing
Unknown

Doses

AEs

Overview

CYP3A4CYP2C9CYP2D6hERG

OverviewOther

Other InhibitorOther SubstrateOther Inducer

Tox targets

PubMed

Sample Use Guides

In Vivo Use Guide
Pentoxyverine citrate or hydrochloride salts for adults up to 180 mg/day can be prescribed in divided doses. Pentoxyverine should be taken with food
Route of Administration: Oral
In Vitro Use Guide
1-5 mg/kg inhibited citric-acid-induced cough in guinea-pigs
Substance Class Chemical
Record UNII
32C726X12W
Record Status Validated (UNII)
Record Version