Theodrenaline

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Theodrenaline
Accession Number
DB12927
Type
Small Molecule
Groups
Investigational
Description

Theodrenaline is under investigation in clinical trial NCT01311414 (Effect of Cafedrine/Theodrenaline and Urapidil on Cerebral Oxygenation).

Structure
Thumb
Synonyms
Not Available
Categories
UNII
RW8PD99T8G
CAS number
13460-98-5
Weight
Average: 375.385
Monoisotopic: 375.154268796
Chemical Formula
C17H21N5O5
InChI Key
WMCMJIGLYZDKRN-UHFFFAOYSA-N
InChI
InChI=1S/C17H21N5O5/c1-20-15-14(16(26)21(2)17(20)27)22(9-19-15)6-5-18-8-13(25)10-3-4-11(23)12(24)7-10/h3-4,7,9,13,18,23-25H,5-6,8H2,1-2H3
IUPAC Name
7-(2-{[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino}ethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
SMILES
CN1C2=C(N(CCNCC(O)C3=CC(O)=C(O)C=C3)C=N2)C(=O)N(C)C1=O

Pharmacology

Indication
Not Available
Structured Indications
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteractionDrug group
7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline may increase the hypotensive activities of Theodrenaline.Experimental
AcebutololAcebutolol may increase the hypotensive activities of Theodrenaline.Approved, Investigational
AcemetacinThe therapeutic efficacy of Theodrenaline can be decreased when used in combination with Acemetacin.Approved, Experimental, Investigational
AlfuzosinAlfuzosin may increase the hypotensive activities of Theodrenaline.Approved, Investigational
AliskirenAliskiren may increase the hypotensive activities of Theodrenaline.Approved, Investigational
AlprenololAlprenolol may increase the hypotensive activities of Theodrenaline.Approved, Withdrawn
AmbrisentanTheodrenaline may increase the hypotensive activities of Ambrisentan.Approved, Investigational
AmifostineTheodrenaline may increase the hypotensive activities of Amifostine.Approved, Investigational
AmlodipineAmlodipine may increase the hypotensive activities of Theodrenaline.Approved
AmphetamineAmphetamine may increase the hypotensive activities of Theodrenaline.Approved, Illicit, Investigational
AtenololAtenolol may increase the hypotensive activities of Theodrenaline.Approved
AvanafilAvanafil may increase the antihypertensive activities of Theodrenaline.Approved
BarnidipineTheodrenaline may increase the antihypertensive activities of Barnidipine.Approved
BenazeprilBenazepril may increase the hypotensive activities of Theodrenaline.Approved, Investigational
BendroflumethiazideBendroflumethiazide may increase the hypotensive activities of Theodrenaline.Approved
BenmoxinBenmoxin may increase the hypotensive activities of Theodrenaline.Withdrawn
BepridilBepridil may increase the hypotensive activities of Theodrenaline.Approved, Withdrawn
BetaxololBetaxolol may increase the hypotensive activities of Theodrenaline.Approved, Investigational
BethanidineBethanidine may increase the hypotensive activities of Theodrenaline.Approved
BietaserpineBietaserpine may increase the hypotensive activities of Theodrenaline.Experimental
BimatoprostBimatoprost may increase the hypotensive activities of Theodrenaline.Approved, Investigational
BisoprololBisoprolol may increase the hypotensive activities of Theodrenaline.Approved
BosentanBosentan may increase the hypotensive activities of Theodrenaline.Approved, Investigational
BQ-123BQ-123 may increase the hypotensive activities of Theodrenaline.Investigational
BretyliumBretylium may increase the hypotensive activities of Theodrenaline.Approved
BrimonidineBrimonidine may increase the antihypertensive activities of Theodrenaline.Approved
BrofaromineBrofaromine may increase the hypotensive activities of Theodrenaline.Experimental
BupranololBupranolol may increase the hypotensive activities of Theodrenaline.Approved
CadralazineCadralazine may increase the hypotensive activities of Theodrenaline.Experimental
CafedrineCafedrine may increase the hypotensive activities of Theodrenaline.Investigational
Calcium carbimideThe risk or severity of adverse effects can be increased when Calcium carbimide is combined with Theodrenaline.Approved, Withdrawn
CandesartanTheodrenaline may increase the hypotensive activities of Candesartan.Experimental
Candesartan cilexetilCandesartan cilexetil may increase the hypotensive activities of Theodrenaline.Approved
CandoxatrilCandoxatril may increase the hypotensive activities of Theodrenaline.Experimental
CaptoprilCaptopril may increase the hypotensive activities of Theodrenaline.Approved
CaroxazoneCaroxazone may increase the hypotensive activities of Theodrenaline.Withdrawn
CarteololCarteolol may increase the hypotensive activities of Theodrenaline.Approved
CarvedilolCarvedilol may increase the hypotensive activities of Theodrenaline.Approved, Investigational
CeliprololCeliprolol may increase the hypotensive activities of Theodrenaline.Approved, Investigational
ChlorothiazideChlorothiazide may increase the hypotensive activities of Theodrenaline.Approved, Vet Approved
ChlorthalidoneChlorthalidone may increase the hypotensive activities of Theodrenaline.Approved
CicletanineCicletanine may increase the hypotensive activities of Theodrenaline.Investigational
CilazaprilCilazapril may increase the hypotensive activities of Theodrenaline.Approved
ClonidineClonidine may increase the hypotensive activities of Theodrenaline.Approved
CloranololTheodrenaline may increase the hypotensive activities of Cloranolol.Experimental
CryptenamineCryptenamine may increase the hypotensive activities of Theodrenaline.Approved
CyclopenthiazideTheodrenaline may increase the hypotensive activities of Cyclopenthiazide.Experimental
CyclothiazideCyclothiazide may increase the hypotensive activities of Theodrenaline.Approved
DebrisoquinDebrisoquin may increase the hypotensive activities of Theodrenaline.Approved, Investigational
DelaprilTheodrenaline may increase the hypotensive activities of Delapril.Experimental
DeserpidineTheodrenaline may increase the hypotensive activities of Deserpidine.Approved
DiazoxideDiazoxide may increase the hypotensive activities of Theodrenaline.Approved
DiethylnorspermineDiethylnorspermine may increase the hypotensive activities of Theodrenaline.Investigational
DihydralazineDihydralazine may increase the hypotensive activities of Theodrenaline.Approved, Investigational
DiltiazemDiltiazem may increase the hypotensive activities of Theodrenaline.Approved, Investigational
DorzolamideDorzolamide may increase the hypotensive activities of Theodrenaline.Approved
DoxazosinDoxazosin may increase the hypotensive activities of Theodrenaline.Approved
EfonidipineEfonidipine may increase the hypotensive activities of Theodrenaline.Approved, Investigational
EnalaprilEnalapril may increase the hypotensive activities of Theodrenaline.Approved, Vet Approved
EnalaprilatEnalaprilat may increase the hypotensive activities of Theodrenaline.Approved
EndralazineEndralazine may increase the hypotensive activities of Theodrenaline.Experimental
EpanololTheodrenaline may increase the hypotensive activities of Epanolol.Experimental
EpoprostenolEpoprostenol may increase the hypotensive activities of Theodrenaline.Approved
EprosartanEprosartan may increase the hypotensive activities of Theodrenaline.Approved
FelodipineFelodipine may increase the hypotensive activities of Theodrenaline.Approved, Investigational
FenoldopamFenoldopam may increase the hypotensive activities of Theodrenaline.Approved
Ferulic acidFerulic acid may increase the hypotensive activities of Theodrenaline.Experimental
FosinoprilFosinopril may increase the hypotensive activities of Theodrenaline.Approved
FurazolidoneFurazolidone may increase the hypotensive activities of Theodrenaline.Approved, Investigational, Vet Approved
GuanabenzGuanabenz may increase the hypotensive activities of Theodrenaline.Approved, Investigational
GuanadrelGuanadrel may increase the hypotensive activities of Theodrenaline.Approved
GuanazodineTheodrenaline may increase the hypotensive activities of Guanazodine.Experimental
GuanethidineGuanethidine may increase the hypotensive activities of Theodrenaline.Approved
GuanfacineGuanfacine may increase the hypotensive activities of Theodrenaline.Approved, Investigational
GuanoclorTheodrenaline may increase the hypotensive activities of Guanoclor.Experimental
GuanoxabenzTheodrenaline may increase the hypotensive activities of Guanoxabenz.Experimental
GuanoxanTheodrenaline may increase the hypotensive activities of Guanoxan.Experimental
HarmalineHarmaline may increase the hypotensive activities of Theodrenaline.Experimental
HexamethoniumHexamethonium may increase the hypotensive activities of Theodrenaline.Experimental
HydracarbazineHydracarbazine may increase the hypotensive activities of Theodrenaline.Experimental
HydralazineHydralazine may increase the hypotensive activities of Theodrenaline.Approved
HydrochlorothiazideHydrochlorothiazide may increase the hypotensive activities of Theodrenaline.Approved, Vet Approved
HydroflumethiazideHydroflumethiazide may increase the hypotensive activities of Theodrenaline.Approved, Investigational
IloprostIloprost may increase the hypotensive activities of Theodrenaline.Approved, Investigational
ImidaprilImidapril may increase the hypotensive activities of Theodrenaline.Investigational
IndapamideIndapamide may increase the hypotensive activities of Theodrenaline.Approved
IndenololIndenolol may increase the hypotensive activities of Theodrenaline.Withdrawn
IndoraminIndoramin may increase the hypotensive activities of Theodrenaline.Withdrawn
IproclozideIproclozide may increase the hypotensive activities of Theodrenaline.Withdrawn
IproniazidIproniazid may increase the hypotensive activities of Theodrenaline.Withdrawn
IrbesartanIrbesartan may increase the hypotensive activities of Theodrenaline.Approved, Investigational
IsocarboxazidIsocarboxazid may increase the hypotensive activities of Theodrenaline.Approved
IsradipineIsradipine may increase the hypotensive activities of Theodrenaline.Approved, Investigational
KetanserinKetanserin may increase the hypotensive activities of Theodrenaline.Investigational
LabetalolLabetalol may increase the hypotensive activities of Theodrenaline.Approved
LacidipineTheodrenaline may increase the hypotensive activities of Lacidipine.Approved, Investigational
LatanoprostLatanoprost may increase the hypotensive activities of Theodrenaline.Approved, Investigational
LercanidipineLercanidipine may increase the hypotensive activities of Theodrenaline.Approved, Investigational
LinsidomineTheodrenaline may increase the hypotensive activities of Linsidomine.Experimental
LisinoprilLisinopril may increase the hypotensive activities of Theodrenaline.Approved, Investigational
LofexidineLofexidine may increase the hypotensive activities of Theodrenaline.Approved, Investigational
LorpiprazoleThe therapeutic efficacy of Theodrenaline can be increased when used in combination with Lorpiprazole.Approved
LosartanLosartan may increase the hypotensive activities of Theodrenaline.Approved
MacitentanTheodrenaline may increase the hypotensive activities of Macitentan.Approved
ManidipineManidipine may increase the hypotensive activities of Theodrenaline.Approved, Investigational
MebanazineMebanazine may increase the hypotensive activities of Theodrenaline.Withdrawn
MecamylamineMecamylamine may increase the hypotensive activities of Theodrenaline.Approved, Investigational
MethoserpidineTheodrenaline may increase the hypotensive activities of Methoserpidine.Experimental
MethyldopaMethyldopa may increase the hypotensive activities of Theodrenaline.Approved
Methylene blueMethylene blue may increase the hypotensive activities of Theodrenaline.Approved, Investigational
MethylphenidateMethylphenidate may decrease the antihypertensive activities of Theodrenaline.Approved, Investigational
MetipranololMetipranolol may increase the hypotensive activities of Theodrenaline.Approved
MetolazoneMetolazone may increase the hypotensive activities of Theodrenaline.Approved
MetoprololMetoprolol may increase the hypotensive activities of Theodrenaline.Approved, Investigational
MetyrosineTheodrenaline may increase the hypotensive activities of Metyrosine.Approved
MibefradilMibefradil may increase the hypotensive activities of Theodrenaline.Investigational, Withdrawn
MinaprineMinaprine may increase the hypotensive activities of Theodrenaline.Approved
MinoxidilMinoxidil may increase the hypotensive activities of Theodrenaline.Approved, Investigational
MirodenafilMirodenafil may increase the antihypertensive activities of Theodrenaline.Investigational
MoclobemideMoclobemide may increase the hypotensive activities of Theodrenaline.Approved, Investigational
MoexiprilMoexipril may increase the hypotensive activities of Theodrenaline.Approved
MolsidomineMolsidomine may increase the hypotensive activities of Theodrenaline.Approved, Investigational
MoxonidineMoxonidine may increase the hypotensive activities of Theodrenaline.Approved, Investigational
MuzolimineTheodrenaline may increase the hypotensive activities of Muzolimine.Experimental
NadololNadolol may increase the hypotensive activities of Theodrenaline.Approved
NaftopidilNaftopidil may increase the hypotensive activities of Theodrenaline.Investigational
NebivololNebivolol may increase the hypotensive activities of Theodrenaline.Approved, Investigational
NialamideNialamide may increase the hypotensive activities of Theodrenaline.Withdrawn
NicardipineNicardipine may increase the hypotensive activities of Theodrenaline.Approved, Investigational
NicorandilNicorandil may increase the hypotensive activities of Theodrenaline.Approved, Investigational
NiguldipineNiguldipine may increase the hypotensive activities of Theodrenaline.Experimental
NilvadipineNilvadipine may increase the hypotensive activities of Theodrenaline.Approved, Investigational
NimodipineNimodipine may increase the hypotensive activities of Theodrenaline.Approved, Investigational
NisoldipineNisoldipine may increase the hypotensive activities of Theodrenaline.Approved
NitrendipineNitrendipine may increase the hypotensive activities of Theodrenaline.Approved, Investigational
NitroprussideNitroprusside may increase the hypotensive activities of Theodrenaline.Approved, Investigational
ObinutuzumabTheodrenaline may increase the hypotensive activities of Obinutuzumab.Approved, Investigational
OctamoxinOctamoxin may increase the hypotensive activities of Theodrenaline.Withdrawn
OlmesartanOlmesartan may increase the hypotensive activities of Theodrenaline.Approved, Investigational
OmapatrilatOmapatrilat may increase the hypotensive activities of Theodrenaline.Investigational
OxprenololOxprenolol may increase the hypotensive activities of Theodrenaline.Approved
PargylinePargyline may increase the hypotensive activities of Theodrenaline.Approved
PenbutololPenbutolol may increase the hypotensive activities of Theodrenaline.Approved, Investigational
PentoliniumPentolinium may increase the hypotensive activities of Theodrenaline.Approved
PentoxifyllinePentoxifylline may increase the hypotensive activities of Theodrenaline.Approved, Investigational
PerindoprilPerindopril may increase the hypotensive activities of Theodrenaline.Approved
PhenelzinePhenelzine may increase the hypotensive activities of Theodrenaline.Approved
PheniprazinePheniprazine may increase the hypotensive activities of Theodrenaline.Withdrawn
PhenoxybenzaminePhenoxybenzamine may increase the hypotensive activities of Theodrenaline.Approved
PhenoxypropazinePhenoxypropazine may increase the hypotensive activities of Theodrenaline.Withdrawn
PhentolaminePhentolamine may increase the hypotensive activities of Theodrenaline.Approved
PinacidilPinacidil may increase the hypotensive activities of Theodrenaline.Approved
PindololPindolol may increase the hypotensive activities of Theodrenaline.Approved, Investigational
PirlindolePirlindole may increase the hypotensive activities of Theodrenaline.Approved
PivhydrazinePivhydrazine may increase the hypotensive activities of Theodrenaline.Withdrawn
Platelet Activating FactorPlatelet Activating Factor may increase the hypotensive activities of Theodrenaline.Experimental
PolythiazidePolythiazide may increase the hypotensive activities of Theodrenaline.Approved
PrazosinPrazosin may increase the hypotensive activities of Theodrenaline.Approved
ProcarbazineProcarbazine may increase the hypotensive activities of Theodrenaline.Approved, Investigational
PropranololPropranolol may increase the hypotensive activities of Theodrenaline.Approved, Investigational
QuinaprilQuinapril may increase the hypotensive activities of Theodrenaline.Approved, Investigational
QuinineQuinine may increase the hypotensive activities of Theodrenaline.Approved
RamiprilRamipril may increase the hypotensive activities of Theodrenaline.Approved
RasagilineRasagiline may increase the hypotensive activities of Theodrenaline.Approved
RemikirenRemikiren may increase the hypotensive activities of Theodrenaline.Approved
RescinnamineTheodrenaline may increase the hypotensive activities of Rescinnamine.Approved
ReserpineReserpine may increase the hypotensive activities of Theodrenaline.Approved, Investigational
RilmenidineRilmenidine may increase the hypotensive activities of Theodrenaline.Approved, Investigational
RiociguatTheodrenaline may increase the hypotensive activities of Riociguat.Approved
RituximabTheodrenaline may increase the hypotensive activities of Rituximab.Approved
SafrazineSafrazine may increase the hypotensive activities of Theodrenaline.Withdrawn
SaprisartanSaprisartan may increase the hypotensive activities of Theodrenaline.Experimental
SelegilineSelegiline may increase the hypotensive activities of Theodrenaline.Approved, Investigational, Vet Approved
SelexipagSelexipag may increase the hypotensive activities of Theodrenaline.Approved
SildenafilSildenafil may increase the antihypertensive activities of Theodrenaline.Approved, Investigational
SitaxentanTheodrenaline may increase the hypotensive activities of Sitaxentan.Approved, Investigational, Withdrawn
SpiraprilSpirapril may increase the hypotensive activities of Theodrenaline.Approved
TadalafilTadalafil may increase the antihypertensive activities of Theodrenaline.Approved, Investigational
TalinololTalinolol may increase the hypotensive activities of Theodrenaline.Investigational
TelmisartanTelmisartan may increase the hypotensive activities of Theodrenaline.Approved, Investigational
TemocaprilTemocapril may increase the hypotensive activities of Theodrenaline.Experimental, Investigational
TerlipressinTerlipressin may increase the hypotensive activities of Theodrenaline.Approved, Investigational
TetrahydropalmatineTetrahydropalmatine may increase the hypotensive activities of Theodrenaline.Investigational
TiboloneTibolone may increase the hypotensive activities of Theodrenaline.Approved, Investigational
TicrynafenTicrynafen may increase the hypotensive activities of Theodrenaline.Withdrawn
TimololTimolol may increase the hypotensive activities of Theodrenaline.Approved
TolazolineTolazoline may increase the hypotensive activities of Theodrenaline.Approved, Vet Approved
TolonidineTheodrenaline may increase the hypotensive activities of Tolonidine.Experimental
ToloxatoneToloxatone may increase the hypotensive activities of Theodrenaline.Approved
TorasemideTorasemide may increase the hypotensive activities of Theodrenaline.Approved
TrandolaprilTrandolapril may increase the hypotensive activities of Theodrenaline.Approved
TranylcypromineTranylcypromine may increase the hypotensive activities of Theodrenaline.Approved, Investigational
TravoprostTravoprost may increase the hypotensive activities of Theodrenaline.Approved
TreprostinilTreprostinil may increase the hypotensive activities of Theodrenaline.Approved, Investigational
TrichlormethiazideTrichlormethiazide may increase the hypotensive activities of Theodrenaline.Approved, Vet Approved
TrimazosinTrimazosin may increase the hypotensive activities of Theodrenaline.Experimental
TrimethaphanTrimethaphan may increase the hypotensive activities of Theodrenaline.Approved, Investigational
UdenafilUdenafil may increase the antihypertensive activities of Theodrenaline.Approved, Investigational
UnoprostoneUnoprostone may increase the hypotensive activities of Theodrenaline.Approved, Investigational
UrapidilUrapidil may increase the hypotensive activities of Theodrenaline.Investigational
ValsartanValsartan may increase the hypotensive activities of Theodrenaline.Approved, Investigational
VardenafilVardenafil may increase the antihypertensive activities of Theodrenaline.Approved
VincamineTheodrenaline may increase the hypotensive activities of Vincamine.Experimental
VinpocetineVinpocetine may increase the hypotensive activities of Theodrenaline.Investigational
XipamideTheodrenaline may increase the hypotensive activities of Xipamide.Experimental
XylometazolineXylometazoline may increase the hypotensive activities of Theodrenaline.Approved, Investigational
YohimbineYohimbine may decrease the antihypertensive activities of Theodrenaline.Approved, Investigational, Vet Approved
ZofenoprilTheodrenaline may increase the hypotensive activities of Zofenopril.Experimental
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
71857
PubChem Substance
347829072
ChemSpider
64874
ChEBI
135580
ChEMBL
CHEMBL2107608
Wikipedia
Theodrenaline
ATC Codes
C01CA23 — Theodrenaline

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
Not AvailableCompletedNot AvailableArterial Hypotension1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility3.71 mg/mLALOGPS
logP-0.2ALOGPS
logP-0.83ChemAxon
logS-2ALOGPS
pKa (Strongest Acidic)9.36ChemAxon
pKa (Strongest Basic)8.66ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area131.16 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity97.09 m3·mol-1ChemAxon
Polarizability37.7 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Imidazopyrimidines
Sub Class
Purines and purine derivatives
Direct Parent
Xanthines
Alternative Parents
6-oxopurines / Alkaloids and derivatives / Catechols / Pyrimidones / 1-hydroxy-2-unsubstituted benzenoids / 1-hydroxy-4-unsubstituted benzenoids / Aralkylamines / N-substituted imidazoles / Benzene and substituted derivatives / Vinylogous amides
show 11 more
Substituents
Xanthine / 6-oxopurine / Purinone / Alkaloid or derivatives / Catechol / 1-hydroxy-4-unsubstituted benzenoid / 1-hydroxy-2-unsubstituted benzenoid / Pyrimidone / Phenol / Aralkylamine
show 26 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 19:21 / Updated on May 02, 2018 00:26