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Details

Stereochemistry ABSOLUTE
Molecular Formula C76H52O46.C20H31NO3
Molecular Weight 2034.6635
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENTOXYVERINE TANNATE

SMILES

CCN(CC)CCOCCOC(=O)C1(CCCC1)C2=CC=CC=C2.OC3=CC(=CC(O)=C3O)C(=O)OC4=C(O)C(O)=CC(=C4)C(=O)OC[C@H]5O[C@@H](OC(=O)C6=CC(OC(=O)C7=CC(O)=C(O)C(O)=C7)=C(O)C(O)=C6)[C@H](OC(=O)C8=CC(OC(=O)C9=CC(O)=C(O)C(O)=C9)=C(O)C(O)=C8)[C@@H](OC(=O)C%10=CC(OC(=O)C%11=CC(O)=C(O)C(O)=C%11)=C(O)C(O)=C%10)[C@@H]5OC(=O)C%12=CC(OC(=O)C%13=CC(O)=C(O)C(O)=C%13)=C(O)C(O)=C%12

InChI

InChIKey=LILZIIRVLKMYCP-HBNMXAOGSA-N
InChI=1S/C76H52O46.C20H31NO3/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26;1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h1-20,52,63-65,76-101H,21H2;5-7,10-11H,3-4,8-9,12-17H2,1-2H3/t52-,63-,64+,65-,76+;/m1./s1

HIDE SMILES / InChI

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