Loratadine
PubChem CID: 3957
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| Compound Synonyms | loratadine, 79794-75-5, Claritin, Alavert, Clarityn, Loratidine, Lisino, Clarityne, Loracert, Loradex, Bonalerg, Claritine, Fristamin, Histaloran, Lertamine, Lorastine, Loratyne, Civeran, Loranox, Versal, Aerotina, Alerpriv, Allertidin, Anhissen, Claratyne, Lorantis, Loritine, Lowadina, Polaratyne, Restamine, Sensibit, Biloina, Lesidas, Loradif, Loraver, Lorfast, Nularef, Optimin, Sanelor, Sohotin, Tadine, Velodan, Lergy, Pylor, Zeos, Sinhistan Dy, Bedix Loratadina, Talorat Dy, Sch 29851, Claritin Reditabs, Clarinase Reperabs, Loratadina, Clarityne-D, Sch-29851, Children's Claritin, Loratadinum, Loratadinum [Latin], Clarityne Dy Repetabs, Loratadine Redidose, Claritin Hives Relief, Bactimicina allergy, ethyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine-1-carboxylate, Claritin Hives Relief Reditab, MFCD00672869, HSDB 3578, UNII-7AJO3BO7QN, 7AJO3BO7QN, Loratadine-d4, NSC-758628, Topcare childrens allergy relief, DTXSID2023224, Ethyl 4-(8-chloro-5,6-dihydro-11H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ylidene)-1-piperidinecarboxylate, CHEMBL998, BAY76-2211, MLS000069647, CHEBI:6538, DTXCID903224, 1-Piperidinecarboxylic acid, 4-(8-chloro-5,6-dihydro-11H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ylidene)-, ethyl ester, ethyl 4-{13-chloro-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene}piperidine-1-carboxylate, Claritin reditab, Loratadina [Spanish], Loratadine [USAN:USP:INN:BAN], Loratadinum (Latin), NSC721075, CLARITIN-D COMPONENT LORATADINE, NSC 721075, NSC 758628, 1-Piperidinecarboxylic acid, 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-, ethyl ester, 1-Piperidinecarboxylic acid,4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-, ethyl ester, NCGC00015619-09, SMR000058255, LORATADINE (MART.), LORATADINE [MART.], LORATADINE (USP-RS), LORATADINE [USP-RS], ethyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate, Ethyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylate, ethyl 4-(8-chloro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ylidene)piperidine-1-carboxylate, LORATADINE (EP IMPURITY), LORATADINE [EP IMPURITY], LORATADINE (EP MONOGRAPH), LORATADINE [EP MONOGRAPH], LORATADINE (USP MONOGRAPH), LORATADINE [USP MONOGRAPH], Loratadine (USAN:USP:INN:BAN), Claritin (TN), CAS-79794-75-5, SR-01000075968, Allerclear, AlavertAllergy, Allervarx, Cronopen, Flonidan, Klaritin, Loradamed, ClaritinReditabs, Alavert Allergy, Loratadine Oral, Loratadine OD, loratadine tablet, Wal-itin, CounterActAllergy, Loratadine ODT, loratadine-form1, Children Claritin, Childrens Walitin, Claritin Chewable, Leader Loratadine, Loratadine 10mg, Medique Loradamed, Wal Itin, LoratadineI-p25, Loratadine Tablets, Loratadine,(S), Sunmark Loratadine, Claritin, BSX, Claritin, CVP, ClaritinLiqui-Gels, Childrens Wal-itin, Guardian Loratadine, Loratadine 10 mg, McKesson Loratadine, Childrens Loratadine, LoratadineNon drowsy, CAREALL Loratadine, loratadine-form2-He, Live BetterLoratadine, Leader Allergy Relief, Loratadineantihistamine, Rexall Allergy Relief, Loratadine (Standard), Health Mart Loratadine, Help I Have Allergies, Equaline Allergy Relief, Spectrum_001496, Sunmark Loratadine ODT, Tocris-1944, Children ClaritinAllergy, equate childrens allergy, LORATADINE [MI], Members Mark Aller-itin, Wal-itin Allergy Relief, Lil Drug Store Claritin, LORATADINE [INN], LORATADINE [JAN], non drowsy allergy relief, ALLERGY RELIEF10mg, Childrens Loratadine Oral, Loratadine Allergy Relief, LoratadineI-0deg(L13), Opera_ID_1868, Spectrum2_001584, Spectrum3_000740, Spectrum4_000177, Spectrum5_001650, Healthmart Loratadine ODT, Lopac-L-9664, LORATADINE [HSDB], LORATADINE [USAN], LORATADINE SOFTGELS, caring mill allergy relief, LoratadineI-p80(L13), Sunmarkchildrens loratadine, Allergy Relief Non Drowsy, Hy-VeeChildrens Loratadine, Non-Drowsy Allergy Relief, LORATADINE [VANDF], TopCareChildrens Loratadine, ALLERGY RELIEF10 mg, childrens allergySugar Free, dg health childrens allergy, equalineChildrens Loratadine, L 9664, LoratadineI-m100(L13), LoratadineI-m173(L13), SCHEMBL4596, Care OneChildrens Loratadine, LORATADINE [WHO-DD], welby all day allergy relief, Kirkland Signature Allerclear, Lopac0_000680, Oprea1_027965, REGID_for_CID_3957, BSPBio_002300, KBioGR_000693, KBioSS_001976, Loratadine (JAN/USP/INN), Dye-Free Childrens Loratadine, family wellness allergy relief, HealthMartChildrens Loratadine, MLS000758260, MLS001148466, MLS001423984, BIDD:GT0198, Childrens LoratadineSugar Free, DivK1c_000792, Good SenseChildrens Loratadine, SPECTRUM1503712, Medi-First Plus Allery Relief, rexall allergy reliefnon drowsy, SPBio_001548, CHILDRENS LORATADINE ODT, TopCare Allergy Relief24 hour, CareOne Allergy Relief24 Hour, GTPL7216, Loratadine - Bio-X trade mark, Medi First Plus Allergy Relief, Best Choice Childrens Loratadine, First Aid Direct Allergy Relief, LORATADINE [ORANGE BOOK], meijerChildrens 24 Hour Allergy, BDBM22876, HMS502H14, KBio1_000792, KBio2_001976, KBio2_004544, KBio2_007112, KBio3_001520, Premier ValueChildrens Loratadine, Claritin ChewableCool Mint Flavor, Equaline Childrens Allergy Relief, Good Neighbor Pharmacy Loratadine, Handy Solutions 24 Hour Allergy, R06AX13, dg health childrens allergy relief, NINDS_000792, HMS2051G11, HMS2090O18, HMS2093I15, HMS2235G23, HMS3262G21, HMS3268M16, HMS3371D13, HMS3393G11, HMS3412N06, HMS3654L17, HMS3676N06, HMS3714E09, Loratadineantihistamineantihistamine, Pharmakon1600-01503712, Good Sense childrens allergy relief, Loratadine 0.1 mg/ml in Methanol, BCP22338, GQA72727, Claritin, BSXNon-Drowsy, 24 Hour, Claritin, CVPNon-Drowsy, 24 Hour, LORATADINE ALLERGY RELIEF10mg, Tox21_110185, Tox21_301532, Tox21_500680, BBL010757, CCG-39362, DL-436, HY-17043R, NSC758628, s1358, STK574925, AKOS005499513, Loratadine, >=98% (HPLC), powder, Tox21_110185_1, AB06849, AC-2086, BCP9000858, CCG-100786, CS-0887, DB00455, FL24933, KS-1079, LP00680, NC00036, NSC-721075, SDCCGSBI-0050659.P004, IDI1_000792, Non-Drowsy Allergy Relief, 24-7 Life, NCGC00015619-01, NCGC00015619-02, NCGC00015619-03, NCGC00015619-04, NCGC00015619-05, NCGC00015619-06, NCGC00015619-07, NCGC00015619-08, NCGC00015619-10, NCGC00015619-11, NCGC00015619-12, NCGC00015619-13, NCGC00015619-26, NCGC00023125-02, NCGC00023125-04, NCGC00023125-05, NCGC00023125-06, NCGC00023125-07, NCGC00255171-01, NCGC00261365-01, 24 / 7 Life Non-Drowsy Allergy Relief, 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cycloheptal[1,2-b]pyridin-11-ylidene-1-piperidinecarboxylic acid ethyl ester, BL164637, Good Neighbor PharmacyChildrens Loratadine, HY-17043, LORATADINE COMPONENT OF CLARITIN-D, Medicine Shoppe Loratadine Allergy Relief, NCI60_041473, SY052751, BCP0726000007, Best Choice Childrens LoratadineSugar Free, SBI-0050659.P003, Berkley and Jensen Childrens Allergy Relief, Childrens Non-Drowsy24-Hour Allergy Relief, Childrens Non-DrowsyAllergy Relief 24-Hour, EU-0100680, L0223, Lil Drug Store ClaritinNon-Drowsy, 24 Hour, NS00002063, SW197416-3, D00364, EN300-119520, AB00053224-15, AB00053224-16, AB00053224_17, AB00053224_18, SUNMARK CHILDRENS LORATADINE SRP SF GRAPE, L000667, Q424049, SR-01000075968-1, SR-01000075968-3, SR-01000075968-4, SR-01000075968-6, BRD-K82795137-001-02-3, BRD-K82795137-001-10-6, BRD-K82795137-001-24-7, BRD-K82795137-001-25-4, BRD-K82795137-001-26-2, Z1521553845, Loratadine, British Pharmacopoeia (BP) Reference Standard, Loratadine, European Pharmacopoeia (EP) Reference Standard, Loratadine, United States Pharmacopeia (USP) Reference Standard, Loratadine, Pharmaceutical Secondary Standard, Certified Reference Material, Loratadine for system suitability, European Pharmacopoeia (EP) Reference Standard, 1-Piperidenecarboxylic acid,6-duhydro-11H-benzo [5,6]cyclohepta[1,2-b]-pyridin-11-ylidene)-, ethyl ester, 11-[N-(ethoxycarbonyl)-4-piperidylidene]-8-chloro-6,11-dihydro-5H-benzo-[5,6]cyclohepta[1,2-b]pyridine, 4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylic acid ethyl ester, Claritin, Sch-2985 1, 4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene-1-piperidinecarboxylic acid ethyl ester, 4-(8-Chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-piperidine-1-carboxylic acid ethyl ester, 4-(8-chloro-5,6-dihydrobenzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine-1-carboxylic acid ethyl ester, 8-chloro-11-(1-ethoxycarbonyl-4-piperidylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine, 8-chloro-6,11-dihydro-11-(1- ethoxycarbonyl-4-piperidylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine, 8-Chloro-6,11-dihydro-11-(1-ethoxycarbonyl-4-piperidylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine, Ethyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidine)-1-piperidinecarboxylate, ethyl 4-(8-chloro-5,6-dihydrobenzo[1,2]cyclohepta[3,4-b]pyridin-11-ylidene)piperidine-1-carboxylate, ethyl 4-{13-chloro-4-azatricyclo[9.4.0.0,3,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene}piperidine-1-carboxylate |
|---|---|
| Topological Polar Surface Area | 42.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Description | desloratadine is available off the shelf in Canada), Loratadine is a tricyclic antihistamine, which has a selective and peripheral H1-antagonist action. It has a long-lasting effect and does not normally cause drowsiness because it does not readily enter the central nervous system, An antiviral that is used in the prophylactic or symptomatic treatment of influenza A. It is also used as an antiparkinsonian agent, to treat extrapyramidal reactions, and for postherpetic neuralgia. The mechanisms of its effects in movement disorders are not well understood but probably reflect an increase in synthesis and release of dopamine, with perhaps some inhibition of dopamine uptake, Loratadine is a drug used to treat allergies. It is marketed by Schering-Plough under several trade names such as Claritin, Clarityn or Claratyne depending on the market, by Lek as Lomilan and by Wyeth as Alavert. It is also available as a generic, Loratadine is a drug used to treat allergies. It is marketed by Schering-Plough under several trade names such as Claritin, Clarityn or Claratyne depending on the market, by Lek as Lomilan and by Wyeth as Alavert. It is also available as a generic. Its active metabolite, desloratadine, is also on the market, though loratadine itself is the only drug of its class available over the counter (at least in the U.S. as of 2005. Loratadine is available off the shelf in the UK [HMDB] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 569.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Enzyme Uniprot Id | P35367 |
| Uniprot Id | Q12809, P25105, P31390, P70174, P35367, P08684, P17405, Q92887, O15245, P31389, Q03164, n.a., P02545, P51151, Q16637, P16473, P25779, P33261, P10636, Q16665, Q01453, P97697, Q194T2, P16050, P42345, P28482, O75604, O15118, P54132, P08482, P40225, P04637, Q6W5P4, P10635, P51450, P11712, O75496, Q96QE3, Q16236, Q99549, Q96KQ7, P83916, Q9UIF8, O15296, P11473, O89049, O94782, P08183, P41595, P25094, O75874, P06280, O94925, Q99700, P43220, Q13526, O94956, Q9NPD5, Q9Y6L6, Q9NUW8, Q96RI1, O75469, P15289, P63092, Q9H2J7, O00519, O60840, P05177, P51589, P10632, O95342, O15438, O15439, Q9NPC2, P0DTD1, P10275, Q03181, P04792, P19838, P05412 |
| Iupac Name | ethyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate |
| Prediction Hob | 1.0 |
| Class | Benzocycloheptapyridines |
| Target Id | NPT98, NPT251, NPT274, NPT483, NPT537, NPT93, NPT210, NPT213, NPT51, NPT211, NPT796, NPT792, NPT940, NPT282, NPT45, NPT538, NPT58, NPT96, NPT539, NPT1416, NPT109, NPT110, NPT212, NPT10, NPT291, NPT668, NPT540, NPT543, NPT4342, NPT628, NPT713, NPT6186 |
| Xlogp | 5.2 |
| Superclass | Organoheterocyclic compounds |
| Molecular Formula | C22H23ClN2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JCCNYMKQOSZNPW-UHFFFAOYSA-N |
| Fcsp3 | 0.3636363636363636 |
| Logs | -5.476 |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Logd | 3.844 |
| Synonyms | Alavert, Amantadine, Anhissen, Bonalerg, Claritin, Claritine, Clarityn, Clarityne, Cronopen, Flonidan, Fristamin, Histaloran, Klaritin, Lertamine, Lisino, Loracert, Loradex, Loranox, Lorastine, Loratadine, Loratidine |
| Substituent Name | Benzocycloheptapyridine, Piperidinecarboxylic acid, Halobenzene, Chlorobenzene, Benzenoid, Pyridine, Piperidine, Aryl halide, Aryl chloride, Heteroaromatic compound, Carbamic acid ester, Tertiary amine, Carboxylic acid ester, Azacycle, Monocarboxylic acid or derivatives, Ether, Hydrocarbon derivative, Organooxygen compound, Organonitrogen compound, Organochloride, Organohalogen compound, Amine, Aromatic heteropolycyclic compound |
| Compound Name | Loratadine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 382.145 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 382.145 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 382.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.620813088888889 |
| Inchi | InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3 |
| Smiles | CCOC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Sesamum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all