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Clarithromycin

PubChem CID: 84029

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Compound Synonyms clarithromycin, 81103-11-9, Biaxin, 6-O-Methylerythromycin, Klaricid, Clarithromycine, Erythromycin, 6-O-methyl-, 6-O-Methylerythromycin a, Clathromycin, Macladin, Klacid, Veclam, Abbott-56268, Mavid, Naxy, Claritromicina, Clarith, Cyllind, Kofron, Zeclar, Clarithromycinum, Biaxin XL, A-56268, TE-031, Astromen, Bicrolid, Clambiotic, Claribid, Claricide, Heliclar, Klaciped, Mabicrol, Abbotic, Clacine, Cyllid, Klarid, Klarin, Maclar, Helas, Adel, Biaxin filmtab, Klax, Biaxin HP, Biaxin xl filmtab, Klaricid Pediatric, Clarithromycin identity, Klaricid H.P., DRG-0099, clarithromycina, Clarosip, UNII-H1250JIK0A, Clarithromycine [INN-French], Clarithromycinum [INN-Latin], Claritromicina [INN-Spanish], Clarithromycin extended release, NSC-758704, CCRIS 8833, CHEBI:3732, H1250JIK0A, DTXSID3022829, HSDB 8055, TE031, 6-O-methyl erythromycin, O(6)-methylerythromycin, DTXCID40820062, NSC 758704, PREVPAC COMPONENT CLARITHROMYCIN, (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-(((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-ethyl-12,13-dihydroxy-4-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-7-methoxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione, (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione, Claridar, Claripen, Fromilid, Clacee, Clacid, Clarem, Clarithromycin [USAN:USP:INN:BAN:JAN], Crixan, Klabax, Clarithromycine (INN-French), Clarithromycinum (INN-Latin), Claritromicina (INN-Spanish), CLARITHROMYCIN (MART.), CLARITHROMYCIN [MART.], CLARITHROMYCIN (USP-RS), CLARITHROMYCIN [USP-RS], CLARITHROMYCIN (EP MONOGRAPH), CLARITHROMYCIN (USP IMPURITY), CLARITHROMYCIN [EP MONOGRAPH], CLARITHROMYCIN [USP IMPURITY], CLARITHROMYCIN (USP MONOGRAPH), CLARITHROMYCIN [USP MONOGRAPH], 116836-41-0, CLARITHROMYCIN IDENTITY (USP-RS), CLARITHROMYCIN IDENTITY [USP-RS], Clarithromycin (USAN:USP:INN:BAN:JAN), CTY, SMR000466382, CAS-81103-11-9, SR-05000001992, 6-O-Methylerythromycin, A-56268, TE-031, biaxin, NSC643733, Klaricid XL, (14R)-14-Hydroxyclarithromycin, NCGC00095117-01, (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione, Clarithromycin,(S), Biaxin (TN), MFCD00865140, Clarithromycin - EP, Clarithromycin500 mg, Clarithromycin-13CD3, Spectrum_000089, CPD000466382, SpecPlus_000559, Spectrum2_001668, Spectrum3_001667, Spectrum4_000629, Spectrum5_001729, 6-0-methylerythromycin A, Clarithromycin 100 microg/mL in Acetonitrile, A56268, CLARITHROMYCIN [MI], CHEMBL1741, CLARITHROMYCIN [INN], CLARITHROMYCIN [JAN], SCHEMBL38125, BSPBio_003453, KBioGR_001218, KBioSS_000509, MLS000759516, MLS001201751, MLS001424066, BIDD:GT0200, CLARITHROMYCIN [VANDF], DivK1c_006655, SPECTRUM1504231, SPBio_001855, Lactoferrin B & Clarithromycin, Lactoferrin H & Clarithromycin, CLARITHROMYCIN [WHO-DD], Clarithromycin (Biaxin, Klacid), Clarithromycin & Interleukin-12, CLM & IL-12, GTPL10903, KBio1_001599, KBio2_000509, KBio2_003077, KBio2_005645, KBio3_002673, ANX-015, J01FA09, SDP-015, Clarithromycin (JP18/USP/INN), Clarithromycin, >=95% (HPLC), Clarithromycin, >=98% (HPLC), HMS1922H09, HMS2051G18, HMS2090O11, HMS2094M05, HMS2231A08, HMS3715J17, Pharmakon1600-01504231, (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dion, CLARITHROMYCIN [ORANGE BOOK], Tox21_111429, Tox21_202903, BDBM50404044, CCG-39086, LMPK04000014, NSC758704, s2555, AKOS015894242, AC20469, AC72406, CS-2576, DB01211, NC00140, NCGC00178054-01, NCGC00178054-06, NCGC00260449-01, AC171875, CLARITHROMYCIN COMPONENT OF PREVPAC, HY-17508, SBI-0206716.P001, C2220, NS00098550, C06912, D00276, F14975, AB00053394-10, AB00053394-12, AB00053394-13, AB00053394_14, AB00053394_15, Q118551, SR-05000001992-1, SR-05000001992-2, BRD-K49668410-001-07-1, BRD-K49668410-001-16-2, BRD-K49668410-001-18-8, Z1515385076, Clarithromycin, European Pharmacopoeia (EP) Reference Standard, Clarithromycin, United States Pharmacopeia (USP) Reference Standard, Clarithromycin Identity, United States Pharmacopeia (USP) Reference Standard, Clarithromycin for peak identification, European Pharmacopoeia (EP) Reference Standard, Clarithromycin, Pharmaceutical Secondary Standard, Certified Reference Material, (2R,3S,4S,5R,6R,8R,10R,11R,12S,13R)-5-(3,4,6-Trideoxy-3-dimethylamino-beta-D-xylo-hexopyranosyloxy)-3-(2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyloxy)-11,12-dihydroxy-6-methoxy-2,4,6,8,10,12-hexamethyl-9-oxopentadecan-13-olide, (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-((2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)-14-ethyl-12,13-dihydroxy-4-((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yloxy)-7-methoxy-3,5,7,9,11,13-hexamethyl, (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-12,13-dihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-7-methoxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione (non-preferred name), (3R,4S,5S,6R,7R,9R,11S, 12R,13S,14S)-6-{[(2S,3R,4S,6R)- 4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-12,13-dihydroxy- 4-{[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-4,6- dimethyloxan-2-yl]oxy}-7-methoxy-3,5,7,9,11,13-hexamethyl-1- oxacyclotetradecane-2,10-dione
Topological Polar Surface Area 183.0
Hydrogen Bond Donor Count 4.0
Heavy Atom Count 52.0
Isotope Atom Count 0.0
Molecular Complexity 1190.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 18.0
Iupac Name (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
Prediction Hob 1.0
Target Id NPT98, NPT109, NPT668, NPT72, NPT73
Xlogp 3.2
Molecular Formula C38H69NO13
Prediction Swissadme 0.0
Inchi Key AGOYDEPGAOXOCK-KCBOHYOISA-N
Fcsp3 0.9473684210526316
Logs -3.199
Rotatable Bond Count 8.0
Logd 1.067
Compound Name Clarithromycin
Prediction Hob Swissadme 0.0
Exact Mass 747.477
Formal Charge 0.0
Monoisotopic Mass 747.477
Hydrogen Bond Acceptor Count 14.0
Molecular Weight 748.0
Covalent Unit Count 1.0
Total Atom Stereocenter Count 18.0
Total Bond Stereocenter Count 0.0
Esol -5.9401768000000015
Inchi InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1
Smiles CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O
Nring 3.0
Defined Bond Stereocenter Count 0.0

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