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1 to 50 of 588 Products/Chemicals (Click for related suppliers)  Page: [1] 2 3 4 5 6 7 8 9 10 11 12 >> Next 50 Results
• Acebutolol
IUPAC Name: N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide | CAS Registry Number: 37517-30-9
Synonyms: acebutolol, Acebutololo, Acetobutolol, dl-Acebutolol, Neptal, Prent, Sectral, (+-)-Acebutolol, Acebutolol HCL, Spectrum_000491, Acebutololum [INN-Latin], Acebrutololum [INN-Latin], Acetobutolol [INN-Spanish], Acebutolol (USAN/INN), Prestwick0_000069, Prestwick1_000069, Prestwick2_000069, Prestwick3_000069, Spectrum2_001340, Spectrum3_000573

Molecular Formula: C18H28N2O4Molecular Weight: 336.425920 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: GOEMGAFJFRBGGG-UHFFFAOYSA-N

• 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

• Acetaminophen
IUPAC Name: N-(4-hydroxyphenyl)acetamide | CAS Registry Number: 103-90-2
Synonyms: acetaminophen, Paracetamol, Tylenol, Datril, Acetaminofen, Algotropyl, Naprinol, 4-Acetamidophenol, Lonarid, Panadol, Acamol, Anelix, Multin, APAP, p-Acetamidophenol, p-Acetaminophenol, Paracetamolo, Abensanil, Acetagesic, Acetalgin

Molecular Formula: C8H9NO2Molecular Weight: 151.162560 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: RZVAJINKPMORJF-UHFFFAOYSA-N

• Acetazolamide
IUPAC Name: N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide | CAS Registry Number: 59-66-5
Synonyms: acetazolamide, Diamox, Acetazolamid, Dehydratin, Natrionex, Nephramid, Nephramide, Acetamox, Diuramid, Diutazol, Duiramid, Eumicton, Phonurit, Cidamex, Diacarb, Diakarb, Diluran, Fonurit, Glaupax, Vetamox

Molecular Formula: C4H6N4O3S2Molecular Weight: 222.245440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: BZKPWHYZMXOIDC-UHFFFAOYSA-N

• Acetorphan
IUPAC Name: benzyl 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetate | CAS Registry Number: 81110-73-8
Synonyms: Racecadotril, Retorphan, Sinorphan, ECADOTRIL, Prestwick_926, Racecadotril [INN], Prestwick0_000626, Prestwick1_000626, Prestwick2_000626, Prestwick3_000626, UNII-76K53XP4TO, BSPBio_000592, MLS000758279, MLS001423958, SPBio_002811, BPBio1_000652, C21H23NO4S, CID107751, NCGC00179511-01, CPD000449320

Molecular Formula: C21H23NO4SMolecular Weight: 385.476620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ODUOJXZPIYUATO-UHFFFAOYSA-N

• Acyclovir
IUPAC Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one | CAS Registry Number: 59277-89-3
Synonyms: acyclovir, Acycloguanosine, Aciclovir, Zovirax, Virorax, Vipral, Aciclovier, Viropump, Virolex, Genvir, Maynar, AcycloFoam, Wellcome-248U, Aciclovir sodium, Acyclovir Lauriad, Prestwick_6, Acyclovir [USAN], 1pwy, Aciclovirum [Latin], Acyclovir (USP)

Molecular Formula: C8H11N5O3Molecular Weight: 225.204640 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: MKUXAQIIEYXACX-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

• Adefovir
IUPAC Name: 2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid | CAS Registry Number: 106941-25-7
Synonyms: ADEFOVIR, PMEA, Adefovir [USAN:INN], 9-PMEA, Adefovir (USAN/INN), 9-(2-Phosphonylmethoxyethyl)adenine, GS 393, C8H12N5O4P, 9-(2-phosphonomethoxyethyl)adenine, DRG-0156, N-(2-Phosphonylmethoxyethyl)adenine, GS 0393, 9-(2-(Phosphonomethoxy)ethyl)adenine, AIDS000048, AIDS-000048, CID60172, GS-0393, 9-(2-Phosphorylmethoxyethyl)adenine, 9-[2-Phosphonylmethoxyethyl]adenine, BRN 3561094

Molecular Formula: C8H12N5O4PMolecular Weight: 273.185741 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 9

InChIKey: SUPKOOSCJHTBAH-UHFFFAOYSA-N

• Adriamycin
IUPAC Name: (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione | CAS Registry Number: 23214-92-8
Synonyms: doxorubicin, Adriblastina, Adriablastin, Adriblastin, Doxil, Adriacin, Rubex, Adriblas tina, Doxorubicin HCl, 14-Hydroxydaunomycin, Adriamycin PFS, Adriamycin RDF, 14-Hydroxydaunorubicine, Adriamycin semiquinone, Adriblastina (TN), nchembio809-comp5, DOXO, Doxorubicin Hydrochloride, Doxorubicine [INN-French], Doxorubicinum [INN-Latin]

Molecular Formula: C27H29NO11Molecular Weight: 543.519260 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 12

InChIKey: AOJJSUZBOXZQNB-TZSSRYMLSA-N

• Aldosterone
IUPAC Name: (8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carbaldehyde | CAS Registry Number: 52-39-1
Synonyms: ALDOSTERONE, Electrocortin, Aldocortin, Elektrocortin, Aldocorten, Aldocortene, d-Aldosterone, Reichstein X, (+)-Aldosterone, 18-Oxocorticosterone, 18-Aldocorticosterone, Aldosteronum [INN-Latin], Aldosterona [INN-Spanish], MLS001333163, MLS001333164, A9477_SIGMA, Aldosterone [BAN:DCF:INN], Aldosterone [INN:BAN:DCF], NSC 73856, CHEBI:27584

Molecular Formula: C21H28O5Molecular Weight: 360.444020 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: PQSUYGKTWSAVDQ-ZVIOFETBSA-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

• Alfacalcidol
IUPAC Name: (1R,3S,5E)-5-[(2Z)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol | CAS Registry Number: 41294-56-8
Synonyms: alfacalcidol, 1alpha-Hydroxypregnacalciferol, LMST03020661, CID5284515, (1S,3R,5E,7Z)-9,10-secocholesta-5,7,10-triene-1,3-diol, (5E,7Z)-(1S,3R)-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol

Molecular Formula: C27H44O2Molecular Weight: 400.637060 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: OFHCOWSQAMBJIW-GITLSTMWSA-N

• Alfuzosin
IUPAC Name: N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide | CAS Registry Number: 81403-80-7
Synonyms: alfuzosin, alphuzosine, Alfusosine, Xatral, Alfuzosine [French], Alfuzosinum [Latin], Alfuzosin (INN), Alfuzosina [Spanish], Xatral (TN), Alfuzosin Hydrochloride, Alfuzosin [INN:BAN], Prestwick0_000322, Prestwick1_000322, Prestwick2_000322, Prestwick3_000322, Spectrum2_000505, Spectrum3_001063, Spectrum4_001208, Spectrum5_000817, BSPBio_000323

Molecular Formula: C19H27N5O4Molecular Weight: 389.448780 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: WNMJYKCGWZFFKR-UHFFFAOYSA-N

• 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

• Almotriptan
IUPAC Name: N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine | CAS Registry Number: 154323-57-6
Synonyms: Axert, Almogran, Almotriptan malate, Almotriptan (USAN), Spectrum_001884, Spectrum2_000498, Spectrum3_001006, Spectrum4_001134, Spectrum5_001554, BSPBio_002731, KBioGR_001647, KBioSS_002414, SPECTRUM1505204, SPBio_000395, Almotriptan [USAN:INN:BAN], C17H27N3O2S, KBio2_002408, KBio2_004976, KBio2_007544, KBio3_001951

Molecular Formula: C17H25N3O2SMolecular Weight: 335.464300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: WKEMJKQOLOHJLZ-UHFFFAOYSA-N

• Alpha-(4-Fluorophenylimino)-P-Cresol
IUPAC Name: 4-[(4-fluoroanilino)methylidene]cyclohexa-2,5-dien-1-one | CAS Registry Number: 3382-63-6
Synonyms: 4-[[(4-Fluorophenyl)imino]methyl]-phenol, 4-(((4-Fluorophenyl)imino)methyl)phenol, AG-F-14352, 4-{[(4-Fluorophenyl)imino]methyl}phenol, 4-[(4-fluoroanilino)methylidene]cyclohexa-2,5-dien-1-one, ZINC00121600, PubChem21923, AC1NU9EK, AGN-PC-00FBFF, SureCN1033697, SureCN1033699, SureCN10045762, CTK1C2233, MolPort-002-326-690, AM917, ACT04886, AMX10117, ANW-44473, STK390972, 4-(4-Fluorophenyl)iminomethyl-phenol

Molecular Formula: C13H10FNOMolecular Weight: 215.223003 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: QVDWVRKNMDWNRU-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

• Amfebutamone
IUPAC Name: 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one | CAS Registry Number: 34911-55-2
Synonyms: bupropion, Amfebutamon, Wellbatrin, Bupropion Hcl, (+-)-Bupropion, Bupropion (INN), AMFEBUTAMONE HCl, Bupropion (USAN), Bupropion (Old RN), Bupropion hydrochloride, Spectrum_001663, Bupropion [INN:BAN], SpecPlus_000954, Amfebutamonum [INN-Latin], Amfebutamona [INN-Spanish], Prestwick0_000249, Prestwick1_000249, Prestwick2_000249, Prestwick3_000249, Spectrum2_001659

Molecular Formula: C13H18ClNOMolecular Weight: 239.741120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: SNPPWIUOZRMYNY-UHFFFAOYSA-N

• Amiodarone Base
IUPAC Name: (2-butyl-1-benzofuran-3-yl)-[4-(2-diethylaminoethyloxy)-3,5-diiodophenyl]methanone | CAS Registry Number: 1951-25-3
Synonyms: amiodarone, Amiodarona, Amjodaronum, Cordarone, Kordaron, Tachydaron, Amiobeta, Amiodarex, Amiohexal, Corbionax, Cordarex, Ortacrone, Rytmarone, Trangorex, Aratac, Braxan, Amiodarone HCL, Amiodarone hydrochloride, nchembio.79-comp9, nchembio732-comp1

Molecular Formula: C25H29I2NO3Molecular Weight: 645.311600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: IYIKLHRQXLHMJQ-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

• Amodiaquin
IUPAC Name: 4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol | CAS Registry Number: 86-42-0
Synonyms: amodiaquine, Flavoquine, Camoquine, Camoquinal, Camochin, Camoquin, Miaquin, Amodiachinum, Amodiachin, Amodiaquine, ring-closed, Cam-AQ1, 2aou, Amodiaquine USP24, CAM-AQI, Amodiaquinum [INN-Latin], Amodiaquina [INN-Spanish], Prestwick0_000309, Prestwick1_000309, Prestwick2_000309, Prestwick3_000309

Molecular Formula: C20H22ClN3OMolecular Weight: 355.861180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: OVCDSSHSILBFBN-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

• Amoxycillin
IUPAC Name: (2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | CAS Registry Number: 26787-78-0
Synonyms: amoxicillin, D-Amoxicillin, Amopenixin, Delacillin, Histocillin, Amoxiden, Amoxivet, Anemolin, Bristamox, Clamoxyl, Flemoxin, Hiconcil, Imacillin, Unicillin, Vetramox, Amoclen, Amoxicillin anhydrous, Aspenil, Cemoxin, Efpenix

Molecular Formula: C16H19N3O5SMolecular Weight: 365.404160 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: LSQZJLSUYDQPKJ-NJBDSQKTSA-N

• AmphotericinB
IUPAC Name: methyl (1R,3S,5S,8S,9S,11R,15S,16S,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,8,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate | CAS Registry Number: 36148-89-7
Synonyms: Amphotericin B, methyl ester, Amphotericin B monomethyl ester, AIDS000095, AIDS-000095, CID6473720, 14,39-Dioxabicyclo[33.3.1]nonatriacontane, amphotericin B deriv., AM, AmB, AME

Molecular Formula: C48H75NO17Molecular Weight: 938.105600 [g/mol]
H-Bond Donor: 11H-Bond Acceptor: 18

InChIKey: LALMAHYFXASBSU-UDIOBJFLSA-N

• Anagrelide
IUPAC Name: 6,7-dichloro-5,10-dihydro-3H-imidazo[2,1-b]quinazolin-2-one | CAS Registry Number: 68475-42-3
Synonyms: anagrelide, Anagrelida, Anagrelide HCL, Anagrelide [INN:BAN], Anagrelidum [INN-Latin], Anagrelida [INN-Spanish], Anagrelide (INN/BAN), Anagrelide [BAN:INN], C10H7Cl2N3O, ANAGRELIDE HYDROCHLORIDE, HSDB 7325, BL-4162A, BRN 0619582, BL 416201, DB00261, NCGC00161408-01, LS-80464, D07455, 6,7-Dichlor-1,5-dihydroimidazo(2,1-b)chinazolin-2(3H)-on, 6,7-Dichloro-1,5-dihydroimidazo(2,1-b)quinazolin-2(3H)-one

Molecular Formula: C10H7Cl2N3OMolecular Weight: 256.088080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: OTBXOEAOVRKTNQ-UHFFFAOYSA-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

• Antibodies (CAS: 89957-37-9)
• Apomorphine
Synonyms: apomorphine, Apomorfin, Uprima, L-Apomorphine, Apomorphin, Apormorphine, IV Apomorphine, R-(-)-Apomorphine, Apomorphine chloride, Apomorphine (BAN), nchembio873-comp6, Uprima (TN), Tocris-2073, Prestwick0_000101, Prestwick1_000101, Prestwick2_000101, Prestwick3_000101, 6abeta-Aporphine-10,11-diol, Biomol-NT_000019, (-)-10,11-Dihydroxyaporphine

Molecular Formula: C17H17NO2Molecular Weight: 267.322380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: VMWNQDUVQKEIOC-CYBMUJFWSA-N

• Aprepitant
IUPAC Name: 5-[[(2S,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one | CAS Registry Number: 170729-80-3
Synonyms: Emend, Aprepitant [USAN], MK 869, MK 0869, DB00673, NCGC00181785-01, LS-156477, L 754030, 3H-1,2,4-Triazol-3-one, 5-(((2R,3S)-2-((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)-4-morpholinyl)methyl)-1,2-dihydro-, 3H-1,2,4-Triazol-3-one, 5-((2-(1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)-4-morpholinyl)methyl)-1,2-dihydro-, (2R-(2alpha(R*),3alpha))-, 221350-96-5, 3-(((2R,3S)-3-(p-Fluorophenyl)-2-(((alphaR)-alpha-methyl-3,5-bis(trifluoromethyl)benzyl)oxy)morpholino)methyl)-delta(sup 2)-1,2,4-triazolin-5-one, 5-[[(2S,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one

Molecular Formula: C23H21F7N4O3Molecular Weight: 534.426662 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 12

InChIKey: ATALOFNDEOCMKK-BYYRLHKVSA-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

• Armodafinil IHS
IUPAC Name: 2-[(R)-benzhydrylsulfinyl]acetamide | CAS Registry Number: 112111-43-0
Synonyms: Armodafinil, Nuvigil, (R)-Modafinil, (-)-Modafinil, (R)-(-)-Modafinil, UNII-V63XWA605I, CRL 40982, l-Modafinil, 2-[(R)-(Diphenylmethyl)sulfinyl]acetamide, Nuvigil (TN), R-(-)-Modafinil, SureCN34489, Armodafinil (USAN/INN), ACE037, V63XWA605I, CHEMBL1201192, CHEBI:775143, CEP 10952, CEP-10952, CRL-40982

Molecular Formula: C15H15NO2SMolecular Weight: 273.350100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YFGHCGITMMYXAQ-LJQANCHMSA-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

• Asenapine
Synonyms: Org 5222, Org-5222, EINECS 265-829-4, CID163091, PDSP1_001600, PDSP2_001584, 5-chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz(2,3-6,7)oxepino(4,5-c)pyrrole, trans-5-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz(2,3:6,7)oxepino(4,5-c)pyrrole

Molecular Formula: C17H16ClNOMolecular Weight: 285.768040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: VSWBSWWIRNCQIJ-HUUCEWRRSA-N

• Aspirin
IUPAC Name: 2-acetyloxybenzoic acid | CAS Registry Number: 50-78-2
Synonyms: aspirin, Acylpyrin, Colfarit, Ecotrin, Acetylsalicylate, Enterosarein, Acenterine, Polopiryna, Micristin, Acetosal, Easprin, ACETYLSALICYLIC ACID, Acetosalic acid, Enterosarine, Acetophen, Acetosalin, Acetylsal, Aspirdrops, Bialpirina, Clariprin

Molecular Formula: C9H8O4Molecular Weight: 180.157420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: BSYNRYMUTXBXSQ-UHFFFAOYSA-N

• Atenolol
IUPAC Name: 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide | CAS Registry Number: 29122-68-7
Synonyms: atenolol, Tenormin, Tenormine, Blokium, duratenol, Duraatenolol, Antipressan, Blocotenol, Cardiopress, Internolol, Prenormine, Servitenol, Vericordin, Atcardil, Atehexal, Atenblock, Atenolin, Atenomel, Betablok, Betacard

Molecular Formula: C14H22N2O3Molecular Weight: 266.336080 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: METKIMKYRPQLGS-UHFFFAOYSA-N

• Atomoxetine HCL
IUPAC Name: (3R)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine hydrochloride | CAS Registry Number: 82248-59-7
Synonyms: Strattera, Atomoxetine hydrochloride, Strattera (TN), TOMOXETINE HYDROCHLORIDE, Ambap5639, C17H21NO.HCl, (R)-Tomoxetine hydrochloride, MLS001401377, MLS002153176, Atomoxetine hydrochloride [USAN], (R)-(-)-Tomoxetine hydrochloride, LY-139602 [(+)-isomer], Atomoxetine hydrochloride (JAN/USAN), tomoxetine hydrochloride, (-)-isomer, CPD000469177, LY139603, SAM001246626, SMR000469177, LS-177676, LY 139603

Molecular Formula: C17H22ClNOMolecular Weight: 291.815680 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: LUCXVPAZUDVVBT-UNTBIKODSA-N

• Atorvastatin
IUPAC Name: (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid | CAS Registry Number: 134523-00-5
Synonyms: atorvastatin, Torvast, Tozalip, Xavator, Cardyl, Sotis, atrovastin, Lipitor, Sortis, Lipitor (TN), Sortis (TN), Atorvastatin (INN), Atorvastatin [INN:BAN], ATORVASTATIN CALCIUM, CCRIS 7159, HSDB 7039, Atorvastatin (R-(R*,R*)), C33H35FN2O5, CHEBI:39548, CI 981

Molecular Formula: C33H35FN2O5Molecular Weight: 558.639803 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: XUKUURHRXDUEBC-KAYWLYCHSA-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

• Atorvastatin Methyl Ester
IUPAC Name: methyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate

Molecular Formula: C34H37FN2O5Molecular Weight: 572.666383 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: IRKGCTGBOBRSMG-VSGBNLITSA-N

• Atorvastatin Sodium
IUPAC Name: calcium;7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate;sodium | CAS Registry Number: 134523-01-6
Synonyms: A806792, calcium; 7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-yl-pyrrol-1-yl]-3,5-bis(oxidanyl)heptanoate; sodium, calcium; 7-[4-[anilino(oxo)methyl]-2-(4-fluorophenyl)-3-phenyl-5-propan-2-yl-1-pyrrolyl]-3,5-dihydroxyheptanoate; sodium

Molecular Formula: C66H68CaF2N4NaO10Molecular Weight: 1178.331496 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 12

InChIKey: WJJASGOCRGAKSN-UHFFFAOYSA-L

• Atovaquone
IUPAC Name: 3-[4-(4-chlorophenyl)cyclohexyl]-4-hydroxynaphthalene-1,2-dione | CAS Registry Number: 95233-18-4
Synonyms: ATOVAQUONE, Mepron, Atavaquone, Malarone, Wellvone, Acuvel, Mixture Name, Malarone Pediatric, Compound 566, Mepron (TN), Spectrum_001743, SpecPlus_000686, Atovaquone (USP/INN), Mepron (antipneumocystic), Prestwick0_000534, Prestwick1_000534, Prestwick2_000534, Prestwick3_000534, Spectrum2_001665, Spectrum3_000991

Molecular Formula: C22H19ClO3Molecular Weight: 366.837460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BSJMWHQBCZFXBR-UHFFFAOYSA-N

• Avermectin B1
Synonyms: Abamectinum, Abamectin, Vertimec, Agrimek, Affirm, Avomec, Zephyr, Avid, avermectin B1, Agri-Mek, Abamectin [ANSI], Abamectin [USAN], Avermectin B(sub 1), AVID EC, Abamectin [ANSI:ISO], HSDB 6941, MK 936, ABAMECTIN (4:1 MIXTURE), EPA Pesticide Chemical Code 122804, MK 0936

Molecular Formula: C95H142O28Molecular Weight: 1732.127180 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 28

InChIKey: IBSREHMXUMOFBB-MVGRHBATSA-N

• Azelastine hydrochloride
IUPAC Name: 4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)phthalazin-1-one | CAS Registry Number: 58581-89-8
Synonyms: azelastine, Optivar, Astelin, Azeptin, Azelastine (INN), Optivar (TN), Azelastinum [INN-Latin], Azelastina [INN-Spanish], Azelastine [INN:BAN], Spectrum2_000649, Spectrum3_001984, C22H24ClN3O, BSPBio_003584, SPBio_000657, KBio3_002992, CID2267, BRN 0900747, DB00972, NCGC00177979-01, LS-109214

Molecular Formula: C22H24ClN3OMolecular Weight: 381.898460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: MBUVEWMHONZEQD-UHFFFAOYSA-N

• Azoxystrobin
IUPAC Name: methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate | CAS Registry Number: 131860-33-8
Synonyms: Heritage, Amistar, Quadris, Bankit, Azoxystrobine x, Icia 5504, Icia-5504, HSDB 7017, ICI-A 5504, CID3034285, EINECS Annex I Index 607-256-00-X, NCGC00163818-01, NCGC00163818-02, LS-28710, Methyl (E)-2-(2-(6-(2-cyanopheoxy)pyrimidin-4-yloxy)phenyl)-3-methoxypropenoate, Benzeneacetic acid, 2-((6-(2-cyanophenoxy)-4-pyrimidinyl)oxy)-alpha-(methoxymethylene)-, methyl ester, (E)-, methyl (2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyacrylate, METHYL (2Z)-2-(2-{[6-(2-CYANOPHENOXY)PYRIMIDIN-4-YL]OXY}PHENYL)-3-METHOXYACRYLATE, 215934-32-0, AZO

Molecular Formula: C22H17N3O5Molecular Weight: 403.387480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: WFDXOXNFNRHQEC-GHRIWEEISA-N

• Aztreonam
IUPAC Name: 2-[[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2S,3S)-2-methyl-4-oxo-1-sulfoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid | CAS Registry Number: 78110-38-0
Synonyms: aztreonam, Azactam, Primbactam, Prestwick_914, Prestwick2_000185, Prestwick3_000185, BSPBio_000109, NSC646279, BPBio1_000121, AIDS013397, AIDS-013397, CID5742832, NCGC00179656-01, SQ-26776, [2S-[2alpha,3beta(Z)]]-2-[[[1-(2-Amino-4-thiazolyl)-2-[(2-methyl-4-oxo-1-sulfo-3-azetidinyl)amino]-2-oxoethylidene]amino]oxy]-2-methylpropanoic acid, 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-{[(2S,3S)-2-methyl-4-oxo-1-sulfoazetidin-3-yl]amino}-2-oxoethylidene]amino}oxy)-2-methylpropanoic acid

Molecular Formula: C13H17N5O8S2Molecular Weight: 435.432780 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 11

InChIKey: WZPBZJONDBGPKJ-VEHQQRBSSA-N

• Balsalazide
IUPAC Name: (3Z)-3-[[4-(2-carboxyethylcarbamoyl)phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid | CAS Registry Number: 80573-04-2
Synonyms: BALSALAZIDE, Balsalazidum [Latin], Balsalazida [Spanish], Balsalazido [Spanish], Balsalazide Disodium, Balsalazide (INN), Balsalazide [INN:BAN], MLS001424257, C17H15N3O6, CID6335412, DB01014, CPD000469221, LS-36369, SAM001246804, SMR000469221, D07488, (E)-5-((4-(((2-Carboxyethyl)amino)carbonyl)phenyl)azo)-2-hydroxybenzoic acid, Benzoic acid, 5-((4-(((2-carboxyethyl)amino)carbonyl)phenyl)azo)-2-hydroxy-, (E)-, 5-[(E)-{4-[(2-carboxyethyl)carbamoyl]phenyl}diazenyl]-2-hydroxybenzoic acid, (3Z)-3-[[4-(2-carboxyethylcarbamoyl)phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid

Molecular Formula: C17H15N3O6Molecular Weight: 357.317500 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: KONZVQJABTUMFX-NDENLUEZSA-N

• Beclomethasone
IUPAC Name: (8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one | CAS Registry Number: 4419-39-0
Synonyms: beclomethasone, Beclometasone, Becotide, Beclometasona, Beclometasonum, Beclometason, Beclocort, Beclometason (TN), Beclometasone (INN), Beclometasone [INN], Beclometasonum [INN-Latin], Beclometasona [INN-Spanish], UNII-KGZ1SLC28Z, C22H29ClO5, MLS000028668, MLS001076089, CHEBI:3001, BMJ 5800, BCBcMAP01_000159, EINECS 224-585-9

Molecular Formula: C22H29ClO5Molecular Weight: 408.915660 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: NBMKJKDGKREAPL-DVTGEIKXSA-N


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