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Profile: SynFine Research, Inc. provides chemical reference standards and synthesis services to the pharmaceutical & related industries. We also provide services in the development and validation of analytical methodologies, isolation, identification, characterization & structure elucidation of degradation products, impurities & metabolites.

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• Aceclofenac Bp98
IUPAC Name: 2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyacetic acid | CAS Registry Number: 89796-99-6
Synonyms: Aceclofenac, Aceclofenac (TN), Aceclofenacum [Latin], Prestwick_772, Aceclofenaco [Spanish], Aceclofenac [BAN:INN], Aceclofenac (JAN/INN), Prestwick0_000175, Prestwick1_000175, Prestwick2_000175, Prestwick3_000175, BSPBio_000069, C16H13Cl2NO4, MLS001032069, MLS001304028, MLS002154226, SPBio_001990, BPBio1_000077, BB_SC-2095, CID71771

Molecular Formula: C16H13Cl2NO4Molecular Weight: 354.184720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: MNIPYSSQXLZQLJ-UHFFFAOYSA-N

• Adapalene
IUPAC Name: 6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalene-2-carboxylic acid | CAS Registry Number: 106685-40-9
Synonyms: ADAPALENE, Differin, Differin (TN), Adapalenum [INN-Latin], Adapaleno [INN-Spanish], Ambap2675, Adapalene [USAN:BAN:INN], Adapalene (JAN/USAN/INN), MLS000759463, CHEBI:31174, CD 271, CD271, C28H28O3, CD-271, DB00210, NCGC00164617-01, CPD000466349, SAM001246663, SMR000466349, LS-172017

Molecular Formula: C28H28O3Molecular Weight: 412.520120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: LZCDAPDGXCYOEH-UHFFFAOYSA-N

• Alendronate Sodium
IUPAC Name: sodium (4-amino-1-hydroxy-1-phosphonobutyl)-hydroxyphosphinate trihydrate | CAS Registry Number: 121268-17-5
Synonyms: Alendros, Adronat, Elandor, Fosalan, Fosamax, Dronal, ALENDRONATE SODIUM, Fosamax (TN), Alendronate sodium hydrate, Sodium alendronate hydrate, Alendronate sodium [USAN], Alendronate sodium (USAN), Alendronate sodium trihydrate, A4978_SIGMA, CHEBI:2566, Alendronate sodium hydrate (JAN), CID60736, MK-217, Alendronic acid monosodium salt trihydrate, LS-106424

Molecular Formula: C4H18NNaO10P2Molecular Weight: 325.123712 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 11

InChIKey: DCSBSVSZJRSITC-UHFFFAOYSA-M

• Alfuzosin HCL
IUPAC Name: N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide hydrochloride | CAS Registry Number: 81403-68-1
Synonyms: Uroxatral, Alfoten, Xatral, Urion, alfuzosin, Alfetim, Alfuzosin Hydrochloride, Xatral Retard, Xatral OD, Xatral SR, Xatral XL, Uroxatral (TN), Alfuzosin hydrochloride [USAN], C19H27N5O4, Alfuzosin hydrochloride (JAN/USAN), LS-70107, SL 77499-10, SL-77499, SL 77 499-10, SL-7749910

Molecular Formula: C19H28ClN5O4Molecular Weight: 425.909720 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: YTNKWDJILNVLGX-UHFFFAOYSA-N

• Ambrisentan
IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-di(phenyl)propanoic acid | CAS Registry Number: 177036-94-1
Synonyms: Letairis, Ambrisentan [INN], Gilead brand of ambrisentan, MLS001195278, BSF-208075, BSF 208075, LU 208075, LU-208075, BSF208075, CID197712, STK097095, NCGC00160662-01, LU208075, SMR000502713, LS-186563, LS-187364, C467894, 2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-propanoic acid, (+-)-(2S)-2-((4,6-Dimethylpyrimidin-2-yl)oxy)-3-methoxy-3,3-diphenylpropanoic acid

Molecular Formula: C22H22N2O4Molecular Weight: 378.421080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: OUJTZYPIHDYQMC-UHFFFAOYSA-N

• Amiodarone HCI
IUPAC Name: (2-butyl-1-benzofuran-3-yl)-[4-(2-diethylaminoethyloxy)-3,5-diiodophenyl]methanone hydrochloride | CAS Registry Number: 19774-82-4
Synonyms: Amiodarone hydrochloride, amiodarone, Cordarone, Ancaron, Cordarone (TN), Prestwick_707, Ancaron (TN), MLS000028520, MLS001076313, SPECTRUM2300165, Amiodarone hydrochloride (JAN), calcium channel (L type) blocker, CID441325, RJC 02270, NCGC00093613-01, NCGC00093613-02, NCGC00093613-03, NCGC00093613-04, CPD000058296, SAM001246646

Molecular Formula: C25H30ClI2NO3Molecular Weight: 681.772540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ITPDYQOUSLNIHG-UHFFFAOYSA-N

• Amlodipine
IUPAC Name: 3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate | CAS Registry Number: 88150-42-9
Synonyms: amlodipine, Norvasc, Amlocard, Amlodis, Coroval, Lipinox, Lotrel, Exforge, Amlodipinum [Latin], Mixture Name, Amlodipino [Spanish], Amlodipine besilate, AMLODIPINE BASE, Amlodipine (INN), Norvasc (TN), Amlodipine Free Base, Ambap6294, Amlodipine [INN:BAN], Spectrum2_000486, Spectrum3_001004

Molecular Formula: C20H25ClN2O5Molecular Weight: 408.875900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: HTIQEAQVCYTUBX-UHFFFAOYSA-N

• Amorolfin
IUPAC Name: (2R,6S)-2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine | CAS Registry Number: 78613-35-1
Synonyms: Amorolfine, Loceryl, amorolfin, Loceryl (TN), Amorolfinum [Latin], Amorolfina [Spanish], amorolfine hydrochloride, Amorolfine (USAN/INN), Amorolfine [USAN:BAN:INN], C21H35NO, AIDS017386, AIDS-017386, CID54260, NCGC00167524-01, Ro 14-4767-002, LS-176596, Ro 14-4767/000, Ro-14-4767-002, D02923, Morpholine, 4-(3-(4-(1,1-dimethylpropyl)phenyl)-2-methylpropyl)-2,6-dimethyl-

Molecular Formula: C21H35NOMolecular Weight: 317.508700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MQHLMHIZUIDKOO-AYHJJNSGSA-N

• Amoxicillin Tyrosine
IUPAC Name: (2S,5R,6R)-6-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | CAS Registry Number: 81651-19-6
Synonyms: (2S,5R,6R)-6-[[(2R)-AMINO-3-(4-HYDROXYPHENYL)-1-OXOPROPYL]AMINO]-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYLCO[3.2.O]HEPTAINE-2-CARBOXYLIC ACID

Molecular Formula: C17H21N3O5SMolecular Weight: 379.431 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: NTJLYLVPQNMYTA-MCYUEQNJSA-N

• Anastrozole
IUPAC Name: 2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile | CAS Registry Number: 120511-73-1
Synonyms: anastrozole, Arimidex, anastrazole, Anastrozol, Anastrole, Arimidex (TN), Arimidex (Zeneca), Zeneca ZD 1033, Ambap4000, Astra brand of anastrozole, ICI D1033, Zeneca brand of anastrozole, MLS000759396, MLS001424217, Anastrozole (JAN/USAN/INN), Anastrozole [USAN:BAN:INN], Anastrozole [USAN:INN:BAN], ZD1033, ICI-D 1033, AstraZeneca brand of anastrozole

Molecular Formula: C17H19N5Molecular Weight: 293.366260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: YBBLVLTVTVSKRW-UHFFFAOYSA-N

• Aripiprazole
IUPAC Name: 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one | CAS Registry Number: 129722-12-9
Synonyms: Abilify, Abilitat, Abilify Discmelt, Aripirazole, Discmelt, Aripiprazole [USAN], Abilify (TN), OPC 31, Opc 14597, OPC-14597, HSDB 7320, MLS000759517, MLS001165779, MLS001195621, MLS001424078, C23H27Cl2N3O2, Aripiprazole (JAN/USAN/INN), OPC-31, STOCK6S-52961, CHEBI:31236

Molecular Formula: C23H27Cl2N3O2Molecular Weight: 448.385380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: CEUORZQYGODEFX-UHFFFAOYSA-N

• Artesunate
Synonyms: Plasmotrin, Qinghaozhi, Arsumax, Artesunic acid, Artesunate ON, Sodium artesunate, Artesunate [INN], Succinyl dihydroartemisinin, Ambap1073, Artesunate (superseded RN), Artesunatum [INN-Latin], Artesunato [INN-Spanish], Dihydroqinghasu hemsuccinate, Quinghaosu reduced succinate ester, SM 804, Dihydroartemisinine-12-alpha-succinate, C19H28O8, LS-177760, LS-187735, WR 256283

Molecular Formula: C19H28O8Molecular Weight: 384.420820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: FIHJKUPKCHIPAT-JQXDXKTESA-N

• Atorvastatin Calcium
IUPAC Name: calcium (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate | CAS Registry Number: 134523-03-8
Synonyms: Lipitor, atorvastatin, Prevencor, Lipibec, Torvast, Caduet, Sortis, Tahor, Mixture Name, ATORVASTATIN CALCIUM, Lipitor (TN), Atorvastatin calcium salt, Atorvastatin calcium [USAN], Atorvastatin calcium (USAN), 2C33H34FN2O5.Ca, CI-981, DRG-0321, CHEBI:50686, BB_SC-4721, YM-548

Molecular Formula: C66H68CaF2N4O10Molecular Weight: 1155.341726 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 14

InChIKey: FQCKMBLVYCEXJB-MNSAWQCASA-L

• Atorvastatin lactone
IUPAC Name: 5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide | CAS Registry Number: 125995-03-1
Synonyms: AIDS342648, CHEBI:299976, MolPort-003-844-663, AIDS-342648, CID6483036, 1H-Pyrrole-3-carboxamide, 5-(4-fluorophenyl)-2-(1-methylethyl)-N,4- diphenyl-1-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-, 1H-Pyrrole-3-carboxamide, 5-(4-fluorophenyl)-2-(1-methylethyl)-N,4-diphenyl-1-(2-((2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-, 5-(4-Fluoro-phenyl)-1-[2-(4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-2-isopropyl-4-phenyl-1H-pyrrole-3-carboxylic acid phenylamide

Molecular Formula: C33H33FN2O4Molecular Weight: 540.624523 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: OUCSEDFVYPBLLF-KAYWLYCHSA-N

• Benazepril hydrochloride
IUPAC Name: 2-[(3S)-3-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid hydrochloride | CAS Registry Number: 86541-74-4
Synonyms: Lotensin, Cibacene, Cibacen, Briem, Tensanil, Zinadril, Labopol, Cibace, Benazepril HCl, Lotrel, Cibacen CHF, Lotensin HCT, Lotensin (TN), BENAZEPRIL HYDROCHLORIDE, CGS 14824A HCl, HSDB 7081, MLS001076668, MLS001333171, MLS001333172, MLS001401429

Molecular Formula: C24H29ClN2O5Molecular Weight: 460.950460 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: VPSRQEHTHIMDQM-FKLPMGAJSA-N

• Benazeprilat
IUPAC Name: (2S)-2-[[(3S)-1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-4-phenylbutanoic acid | CAS Registry Number: 86541-78-8
Synonyms: Benazeprilate, Benazeprilatum, Benazeprilate [French], Benazeprilatum [Latin], Benazeprilat (USAN/INN), Benazeprilat [USAN:INN], UNII-JRM708L703, Cgs-14831, CGS 14831, C24H28N2O5, CID5463984, LS-177937, D03077, 1H-1-Benzazepine-1-acetic acid, 3-(((1S)-1-carboxy-3-phenylpropyl)amino)-2,3,4,5-tetrahydro-2-oxo-, (3S)-, 1H-1-Benzazepine-1-acetic acid, 3-((1-carboxy-3-phenylpropyl)amino)-2,3,4,5-tetrahydro-2-oxo-, (S-(R*,R*))-, (3S)-3-(((1S)-1-Carboxy-3-phenylpropyl)amino)-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepine-1-acetic acid, 107397-09-1, 1H-1-Benzazepine-1-acetic acid, 3-((1-carboxy-3-phenylpropyl)amino)-2,3,4,5-tetrahydro-2-oxo-, 89747-91-1

Molecular Formula: C22H24N2O5Molecular Weight: 396.436360 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: MADRIHWFJGRSBP-ROUUACIJSA-N

• Bicalutamide
IUPAC Name: (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide | CAS Registry Number: 90357-06-5
Synonyms: bicalutamide, Casodex, (R)-Bicalutamide, R-BICALUTAMIDE, Bicalutamide [USAN:BAN:INN], CHEBI:3090, STOCK6S-47735, 1z95, CID56069, DB01128, DB02932, ICI 176334, BRN 5364666, NCGC00167487-01, (2R)-N-[4-CYANO-3-(TRIFLUOROMETHYL)PHENYL]-3-[(4-FLUOROPHENYL)SULFONYL]-2-HYDROXY-2-METHYLPROPANAMIDE, (+-)-4'-Cyano-alpha,alpha,alpha-trifluoro-3-((p-fluorophenyl)sulfonyl)-2-methyl-m-lactotoluidide, (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide, Propanamide, N-(4-cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)sulfonyl)-2-hydroxy-2-methyl-, (+-)-

Molecular Formula: C18H14F4N2O4SMolecular Weight: 430.373373 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 9

InChIKey: LKJPYSCBVHEWIU-KRWDZBQOSA-N

• Bis-(sodium sulfopropyl) disulfide
IUPAC Name: disodium 3-(3-sulfonatopropyldisulfanyl)propane-1-sulfonate | CAS Registry Number: 27206-35-5
Synonyms: Di(thiopropane sodium sulfonate), EINECS 248-324-3, CID117948, Disodium 3,3'-dithiobis(propanesulphonate), gamma,gamma'-Sulfopropyldisulfide, disodium salt, LT00239762, I14-4725, 1-Propanesulfonic acid, 3,3'-dithiobis-, disodium salt, 3,3'-Dithiobis(1-propanesulfonic acid), disodium salt, 1-Propanesulfonic acid, 3,3'-dithiobis-, sodium salt (1:2)

Molecular Formula: C6H12Na2O6S4Molecular Weight: 354.395420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: WIYCQLLGDNXIBA-UHFFFAOYSA-L

• Brompheniramine
IUPAC Name: 3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine | CAS Registry Number: 86-22-6
Synonyms: BROMPHENIRAMINE, Dimetane, Ilvin, Parabromdylamine, Bromfeniramina, Dimetapp, Brotane, Brompheniraminum, p-Bromdylamine, Dimetane-ten, para-Bromdylamine, D-Brompheniramine, Brompheniramine maleate, Brotane (TN), BIPHETAP, BROMANATE, BROMATAPP, Antihistamine compound, DIMETANE-DC, DIMETANE-DX

Molecular Formula: C16H19BrN2Molecular Weight: 319.239460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ZDIGNSYAACHWNL-UHFFFAOYSA-N

• bupropion HCl
IUPAC Name: 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one hydrochloride | CAS Registry Number: 31677-93-7
Synonyms: Bupropion hydrochloride, Wellbutrin, Zyban, Wellbutrin SR, Wellbutrin XL, Wellbatrin, Elontril, Quomem, Voxra, Wellbutrin XR, Wellbutrin Retard, Wellbutrin (TN), Prestwick_668, Zyban (pharmaceutical), Amfebutamon hydrochlorid, Zyban (TN), Amfebutamone hydrochloride, B102_SIGMA, HSDB 6988, MLS000069376

Molecular Formula: C13H19Cl2NOMolecular Weight: 276.202060 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: HEYVINCGKDONRU-UHFFFAOYSA-N

• Canrenone
IUPAC Name: 10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione | CAS Registry Number: 976-71-6
Synonyms: Aldadiene, Phanurane, CANRENONE, Spirolactone SC 14266, NSC261713, AIDS128317, AIDS-128317, SC 9376, SC-9376, RP 11641, 11614 R. P., 17-Hydroxy-3-oxo-17.alpha.-pregna-4,6-diene-21-carboxylic acid .gamma.-lactone, 17.alpha.-Pregna-4,6-diene-21-carboxylic acid, 17-hydroxy-3-oxo-, .gamma.-lactone, Pregna-4,6-diene-21-carboxylic acid, 17-hydroxy-3-oxo-, .gamma.-lactone (17.alpha.)-, Pregna-4,6-diene-21-carboxylic acid, 17-hydroxy-3-oxo-, .gamma.-lactone, (17.alpha.)-, 17.alpha.-(2-Carboxyethyl)-17.beta.-hydroxyandrosta-4, 6-dien-3-one lactone, 17.alpha.-(2-Carboxyethyl)-17.beta.-hydroxyandrosta-4,6-dien-3-one lactone, Pregna-4, 6-diene-21-carboxylic acid, 17-hydroxy-3-oxo-, .gamma.-lactone, (17.alpha.)-

Molecular Formula: C22H28O3Molecular Weight: 340.455920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: UJVLDDZCTMKXJK-UHFFFAOYSA-N

• Captopril disulfide
IUPAC Name: (2S)-1-[3-[(2S)-3-[(2S)-2-carboxypyrrolidin-1-yl]-2-methyl-3-oxopropyl]disulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acid | CAS Registry Number: 64806-05-9
Synonyms: captopril disulphide, CPS-SCP, CP-S-S-CP, CHEBI:53236, CID163066, SQ 14,551, SQ 14551, 1,1'-(dithiobis(2-methyl-1-oxo-3,1-propanediyl))bis-(S-(R*,R*))-L-Proline, L-Proline, 1,1'-(dithiobis(2-methyl-1-oxo-3,1-propanediyl))bis-(S-(R*,R*))-, (2S)-1-[(2S)-3-({3-[(2S)-2-carboxypyrrolidin-1-yl]-2-methyl-3-oxopropyl}disulfanyl)-2-methylpropanoyl]pyrrolidine-2-carboxylic acid

Molecular Formula: C18H28N2O6S2Molecular Weight: 432.554720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: ZWKRXBCJAUKDCI-KRCVMZOZSA-N

• Cefdinir
IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | CAS Registry Number: 91832-40-5
Synonyms: cefdinir, Omnicef, Cefdinyl, Cefzon, Cefdirnir, CFDN, Omnicef (TN), Cefzon (TN), Cefdinir [USAN:INN], Cefdinirum [INN-Latin], Spectrum5_001560, BSPBio_002735, SPECTRUM1505208, Cefdinir (JP15/USAN/INN), BMY 28488, C14H13N5O5S2, CI 983, CI-983, FK 482, FK-482

Molecular Formula: C14H13N5O5S2Molecular Weight: 395.413520 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: RTXOFQZKPXMALH-GHXIOONMSA-N

• Cefixime
IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethyloxyimino)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | CAS Registry Number: 79350-37-1
Synonyms: Suprax, CEFIXIME, Cephoral, Cefspan, Necopen, Denvar, Oroken, Tricef, Suprax (TN), CFIX, Prestwick3_000462, BSPBio_000564, Cefixime (JP15/USP/INN), BPBio1_000622, FK-027, NCGC00179521-01, FR-17027, CL-284635, LS-187248, AB00513842

Molecular Formula: C16H15N5O7S2Molecular Weight: 453.449600 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 10

InChIKey: OKBVVJOGVLARMR-QSWIMTSFSA-N

• Ceftazidime Sodium
IUPAC Name: tetrasodium; (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-6-oxido-5-oxo-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-6-oxido-5-oxo-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; heptahydrate | CAS Registry Number: 104376-79-6
Synonyms: Rocephin, Rocephin (TN), CTRX, CEFTRIAXONE SODIUM, Ceftriaxone sodium (JP15/USP), D00924

Molecular Formula: C36H46N16Na4O21S6Molecular Weight: 1323.194120 [g/mol]
H-Bond Donor: 11H-Bond Acceptor: 31

InChIKey: KTAVBOYXMBQFGR-MAODNAKNSA-J

• Celecoxib
IUPAC Name: 4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide | CAS Registry Number: 169590-42-5
Synonyms: celecoxib, Celebrex, Celebra, Celocoxib, Celecox, Onsenal, Solexa, Celebrex (TN), Celecoxib [USAN], Spectrum_000432, 1oq5, Mack brand of celecoxib, Pfizer brand of celecoxib, Searle brand of celecoxib, Spectrum2_001576, Spectrum3_001996, Spectrum4_000182, Spectrum5_001324, Heumann brand of celecoxib, YM177

Molecular Formula: C17H14F3N3O2SMolecular Weight: 381.372170 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: RZEKVGVHFLEQIL-UHFFFAOYSA-N

• Cephathiamidinum
IUPAC Name: (6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-(2H-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | CAS Registry Number: 51627-14-6
Synonyms: CEFATRIZINE, Cefatrizine (USAN), D02406, (6R,7R)-7-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-8-oxo-3-[(1H-1,2,3-triazol-4-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, CFT

Molecular Formula: C18H18N6O5S2Molecular Weight: 462.502720 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 9

InChIKey: UOCJDOLVGGIYIQ-PBFPGSCMSA-N

• Cerivastatin Sodium
IUPAC Name: sodium (E,3R,5S)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)pyridin-3-yl]-3,5-dihydroxyhept-6-enoate | CAS Registry Number: 143201-11-0
Synonyms: Baycol, Rivastatin, Lipobay, cerivastatin, Certa, CERIVASTATIN SODIUM, CERIVASTATIN Na, Baycol (TN), Cerivastatin sodium [USAN], Bay w 6228, Bay-w-6228, C26H33FNO5.Na, MLS001424071, Cerivastatin sodium (JAN/USAN), CID5281100, CPD000469148, LS-74656, SAM001246554, SMR000469148, D00889

Molecular Formula: C26H33FNNaO5Molecular Weight: 481.532093 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: GPUADMRJQVPIAS-QCVDVZFFSA-M

• Cetrizine Dihydrochloride
IUPAC Name: 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid dihydrochloride | CAS Registry Number: 83881-52-1
Synonyms: Zyrtec, Reactine, Alertisin, Cetriler, Formistin, Ressital, Salvalerg, Stopaler, Alercet, Alergex, Cetrine, Cetzine, Setiral, Zyrzine, Alerid, Riztec, Virdos, Zirtin, Cezin, Ryzen

Molecular Formula: C21H27Cl3N2O3Molecular Weight: 461.809680 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: PGLIUCLTXOYQMV-UHFFFAOYSA-N

• Chlorphenamine
IUPAC Name: 3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine | CAS Registry Number: 132-22-9
Synonyms: chlorpheniramine, Chloropheniramine, Clorfeniramina, Allergican, Allergisan, Chloropiril, Cloropiril, Histadur, Polaronil, Haynon, Hayon, Chlorpheniraminum, Chlorphenaminum, Clofeniramina, Clorfenamina, Piriton, Chlor-trimeton, Chlorophenylpyridamine, Chlorprophenpyridamine, Chloroprophenpyridamine

Molecular Formula: C16H19ClN2Molecular Weight: 274.788460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: SOYKEARSMXGVTM-UHFFFAOYSA-N

• Cilazapril
IUPAC Name: (1S,9S)-9-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-10-oxo-1,2,3,4,6,7,8,9-octahydropyridazino[1,2-a]diazepine-1-carboxylic acid | CAS Registry Number: 88768-40-5
Synonyms: cilazapril, Inhibace, Cilazil, Inibace, Vascace, Dynorm, Justor, Cilazapril anhydrous, Cilazaprilum [Latin], Inhibace (TN), Cilazapril (INN), Cilazapril, Anhydrous, Cilazapril (anhydrous), C22H31N3O5, CID56330, Ro 34-2848, Ro-312848, LS-178061, D07699, 6H-Pyridazino(1,2-a)(1,2)diazepine-1-carboxylic acid, 9-(((1S)-1-(ethoxycarbonyl)-3-phenylpropyl)amino)octahydro-10-oxo-, (1S,9S)-

Molecular Formula: C22H31N3O5Molecular Weight: 417.498640 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: HHHKFGXWKKUNCY-FHWLQOOXSA-N

• Cilazaprilat
IUPAC Name: (1S,9S)-9-[[(2S)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]amino]-10-oxo-1,2,3,4,6,7,8,9-octahydropyridazino[1,2-a]diazepine-1-carboxylic acid | CAS Registry Number: 90139-06-3
Synonyms: Cilazaprilate, Cilazaprilatum, Cilazaprilate [French], Cilazaprilatum [Latin], Cilazaprilat [BAN:INN], cilazapril active metabolite, UNII-WBL76FH528, C20H27N3O5, CID64766, Ro 313113, Ro 31-3113, LS-178112, N-((1S,9S)-1-Carboxy-10-oxoperhydropyridazino-(1,2-alpha)(1,2)diazepin-9-yl)-4-phenyl-L-homoalanine

Molecular Formula: C20H27N3O5Molecular Weight: 389.445480 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: UVAUYSRYXACKSC-ULQDDVLXSA-N

• Cimetidine A
IUPAC Name: 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine | CAS Registry Number: 51481-61-9
Synonyms: cimetidine, Tagamet, Cimetag, Cimetidina, Cimetidinum, Eureceptor, Gastrobitan, Ulcomedina, Acibilin, Dyspamet, Gastromet, Metracin, Ulcedine, Ulcerfen, Ulcestop, Valmagen, Cimetum, Edalene, Tametin, Ulcedin

Molecular Formula: C10H16N6SMolecular Weight: 252.339240 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: AQIXAKUUQRKLND-UHFFFAOYSA-N

• Ciprofloxacin Hydrochloride
IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid hydrate hydrochloride | CAS Registry Number: 86393-32-0
Synonyms: Ciloxan, Oftacilox, Ceprimax, Cipro, Ciprocinal, Floxacipron, Belmacina, Ciflosin, Ciprofur, Ciproktan, Cipronex, Cipropol, Disfabac, Felixene, Flociprin, Keefloxin, Megaflox, Microgan, Novoquin, Ophaflox

Molecular Formula: C17H21ClFN3O4Molecular Weight: 385.817743 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: ARPUHYJMCVWYCZ-UHFFFAOYSA-N

• Cis-Entacapone
IUPAC Name: (Z)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide | CAS Registry Number: 145195-63-7
Synonyms: cis-Entacapone, (Z)-Entacapone, UNII-4X96VV9HUQ, SureCN3934631, CHEMBL2115078, FT-0667863, (2Z)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-2-propenamide

Molecular Formula: C14H15N3O5Molecular Weight: 305.286000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: JRURYQJSLYLRLN-YHYXMXQVSA-N

• Cisapride
IUPAC Name: 4-amino-5-chloro-N-[1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide | CAS Registry Number: 81098-60-4
Synonyms: cisapride, Enteropride, Acenalin, Acpulsif, Alipride, Cisapron, Colinorm, Kaudalit, Kinestase, Prepulsid, Pridesia, Propulsid, Propulsin, Syspride, Unipride, Vomiprid, Vomipride, Cipride, Cisawal, Rapulid

Molecular Formula: C23H29ClFN3O4Molecular Weight: 465.945463 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: DCSUBABJRXZOMT-UHFFFAOYSA-N

• Citalopram Hydrobromide
IUPAC Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile hydrobromide | CAS Registry Number: 59729-32-7
Synonyms: citalopram hydrobromide, Celexa, citalopram, Nitalapram, Cipramil, Seropram, Apertia, Elopram, Prisdal, Cipram, Lupram, Sepram, Celexa (TN), C20H21FN2O.HBr, Citalopram hydrobromide [USAN], HSDB 7042, MLS000758293, MLS000860078, MLS001401376, C7861_SIGMA

Molecular Formula: C20H22BrFN2OMolecular Weight: 405.303883 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: WIHMBLDNRMIGDW-UHFFFAOYSA-N

• Clarithromycin
IUPAC Name: (2R,3R,4S,5R,8R,9S,10S,11R,12R,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5-ethyl-3,4-dihydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-12-methoxy-2,4,8,10,12,14-hexamethyl-6-oxacyclotetradecane-1,7-dione | CAS Registry Number: 81103-11-9
Synonyms: clarithromycin, Biaxin, Klaricid, Macladin, Clarith, Klacid, Veclam, Naxy, Clambiotic, Clathromycin, Astromen, Bicrolid, Claribid, Claricide, Heliclar, Klaciped, Mabicrol, Abbotic, Clacine, Cyllind

Molecular Formula: C38H69NO13Molecular Weight: 747.953360 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 14

InChIKey: AGOYDEPGAOXOCK-KCBOHYOISA-N

• Clavulanic Acid
IUPAC Name: (2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | CAS Registry Number: 58001-44-8
Synonyms: Clavulanate, CLAVULANIC ACID, Clavulansaeure, Clavulox, Clavulinic Acid, Acido clavulanico, Acide clavulanique, Isoclavulanic acid, Sodium Clavulanate, acidum clavulanicum, Clavulox (TN), Clavulansaeure [INN], Potassium clavulanate, Antibiotic MM 14151, Clavulanic acid (INN), Clavulanic acid [BAN:INN], BSPBio_002430, C8H9NO5, Acide clavulanique [INN-French], Acido clavulanico [INN-Spanish]

Molecular Formula: C8H9NO5Molecular Weight: 199.160760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: HZZVJAQRINQKSD-PBFISZAISA-N

• Clopidogrel Bisulphate
IUPAC Name: methyl 2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate;sulfuric acid | CAS Registry Number: 135046-48-9
Synonyms: Clopidogrel hydrogen sulfate, Clopidogrel hydrogensulfate, R-(-)-Clopidogrel Hydrogen Sulfate, SR-25990, PubChem5918, SureCN2307984, AGN-PC-015I9T, CTK8F1338, MolPort-003-983-863, ACN-S002003, ACT04766, ACT06725, AKOS005146215, AC-5597, NCGC00095065-01, NCGC00095065-02, I14-0711, ( inverted exclamation markA) Clopidogrel hydrogensulfate, Methyl (2-chlorophenyl)(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate hydrogen sulfate, methyl (s)-alpha-(2-chlorophenyl)-6,7-dihydrothieno(3,2-c)pyridine-5(4h)-acetate hydrogen sulfate

Molecular Formula: C16H18ClNO6S2Molecular Weight: 419.900220 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: FDEODCTUSIWGLK-UHFFFAOYSA-N

• Clozapine
IUPAC Name: 3-chloro-6-(4-methylpiperazin-1-yl)-5H-benzo[c][1,5]benzodiazepine | CAS Registry Number: 5786-21-0
Synonyms: clozapine, Clozapin, Leponex, Fazaclo, Clorazil, Iprox, CLOZARIL, Asaleptin, Lepotex, Clozaril (TN), Prestwick_693, Ambap805, Clozapinum [INN-Latin], Clozapina [INN-Spanish], Spectrum_000139, Tocris-0444, Prestwick0_000350, Prestwick1_000350, Spectrum2_000919, Spectrum3_001828

Molecular Formula: C18H19ClN4Molecular Weight: 326.823260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ZUXABONWMNSFBN-UHFFFAOYSA-N

• Compactin (Mevastatin)
IUPAC Name: [(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate | CAS Registry Number: 73573-88-3
Synonyms: Mevastatin, compactin, Mevastatin [INN], 6-demethylmevinolin, Antibiotic ML 236B, Compactin (penicillium), Ambap1319, Mevastatine [INN-French], Mevastatinum [INN-Latin], ML-236B, nchembio.149-comp17, Mevastatina [INN-Spanish], CCRIS 4505, Lopac0_000754, MLS000721804, MLS000759452, M2537_SIGMA, ML236B, ML 236 B, ML 236B

Molecular Formula: C23H34O5Molecular Weight: 390.513060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: AJLFOPYRIVGYMJ-INTXDZFKSA-N

• Cytarabine
IUPAC Name: 4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one | CAS Registry Number: 147-94-4
Synonyms: cytarabine, Arabinocytidine, Cytarabin, Cytosine arabinoside, Arabinosylcytosine, Ara-C, Cytarabinoside, Aracytidine, Cytarabina, Aracytin, Tarabine, Cytosar, Depocyt, Alexan, Udicil, Spongocytidine, Arabitin, Aracytine, Arafcyt, Cytosine arabinose

Molecular Formula: C9H13N3O5Molecular Weight: 243.216620 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: UHDGCWIWMRVCDJ-CCXZUQQUSA-N

• Darunavir
IUPAC Name: [(3R,3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate | CAS Registry Number: 206361-99-1
Synonyms: Prezista, Darunavirum, 2idw, 2ien, Darunavir [USAN], TMC-114, Darunavirum [INN-Latin], TMC114, 2f8g, 2hs1, 2hs2, Darunavir (USAN/INN), UIC-94017, TMC 114, AIDS073035, UNII-YO603Y8113, 2f80, 2f81, AIDS-073035, CID213039

Molecular Formula: C27H37N3O7SMolecular Weight: 547.663580 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 9

InChIKey: CJBJHOAVZSMMDJ-HEXNFIEUSA-N

• Desacetyl Diltiazem HCl.
IUPAC Name: (2S,3S)-5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one;hydrochloride | CAS Registry Number: 75472-91-2
Synonyms: SureCN11008664, EINECS 278-217-7, (2S-cis)-5-(2-(Dimethylamino)ethyl)-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one monohydrochloride

Molecular Formula: C20H25ClN2O3SMolecular Weight: 408.942100 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: XNQWAVFYFJXSHD-VOMIJIAVSA-N

• Desvenlafaxine
IUPAC Name: 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol | CAS Registry Number: 93413-62-8
Synonyms: Norvenlafaxine, O-Desmethylvenlafaxine, Desvenlafaxine [INN], Desvenlafaxine Succinate, Desvenlafaxine [INN:BAN], DVS 233, C16H25NO2, Desvenlafaxine Succinate [USAN], Wy 45233, Wy-45233, PDSP1_001804, PDSP2_001787, LS-178212, WY 45,233, WY-45,233, 4-(2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)phenol, Phenol, 4-(2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)-, 1-((1RS)-2-(Dimethylamino)-1-(4-hydroxyphenyl)ethyl)cyclohexanol hydrogen butanedioate monohydrate, 386750-22-7, Butanedioic acid, compound with 4-(2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)phenol (1:1), monohydrate

Molecular Formula: C16H25NO2Molecular Weight: 263.375200 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: KYYIDSXMWOZKMP-UHFFFAOYSA-N

• Di Sodium Chromoglycate
IUPAC Name: disodium 5-[3-(2-carboxylato-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylate | CAS Registry Number: 15826-37-6
Synonyms: Gastrocrom, Intal, Frenasma, Nasalcrom, Nebulasma, Opticrom, Rynacrom, Aararre, Lomudal, Lomudas, Lomusol, Nalcrom, Aarane, Lomuda, Nasmil, Sodium cromolyn, Chromolyn sodium, sodium cromoglicate, Cromoglycate, Gastrofrenal

Molecular Formula: C23H14Na2O11Molecular Weight: 512.330200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 11

InChIKey: VLARUOGDXDTHEH-UHFFFAOYSA-L

• Diltiazem Hcl
IUPAC Name: [(2S,3S)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate hydrochloride | CAS Registry Number: 33286-22-5
Synonyms: Cardizem, Herbesser, Dilzene, Lacerol, Tildiem, Dilzem, Masdil, Tiazac, Diltiazem hydrochloride, Mono-Tildiem, Angiotrofin, Dilicardin, Diltahexal, Dilzicardin, Pentilzeno, Altiazem, Bi-Tildiem, Britiazim, Calcicard, Cardiazem

Molecular Formula: C22H27ClN2O4SMolecular Weight: 450.978780 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: HDRXZJPWHTXQRI-BHDTVMLSSA-N

• Dronabinol
IUPAC Name: (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol | CAS Registry Number: 1972-08-3
Synonyms: Marinol, Deltanyne, delta9-THC, Tetranabinex, Compassia, delta1-THC, Hashish, Ganja, Cannabis resin, Drona binol, delta(sup 1)-Thc, delta(sup 9)-Thc, TETRAHYDROCANNABINOL, Tetrahydrocannabinols, Abbott 40566, delta-THC, 6H-Dibenzo, Dronabinolum [Latin], delta1-Tetrahydrocannabinol, delta9-Tetrahydrocannabinol

Molecular Formula: C21H30O2Molecular Weight: 314.461700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CYQFCXCEBYINGO-IAGOWNOFSA-N

• Drospirenone
Synonyms: Dehydrospirorenone, Dihydrospirorenone, Yasmin, 1,2-Dihydrospirorenone, Drospirenone [INN], DRSP, 1,2-dihydro-spirorenone, Drospirenonum [INN-Latin], Drospirenona [INN-Spanish], 1, 2-Dihydrospirorenone, Drospirenone (USAN/INN), CCRIS 6523, CHEBI:50838, EINECS 266-679-2, ZK 30595, C24H30O3, ZK30595, BRN 4765500, SH-470, DB01395

Molecular Formula: C24H30O3Molecular Weight: 366.493200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: METQSPRSQINEEU-HXCATZOESA-N


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