Synthèse AptoChem Inc.

Click Here To EMAIL INQUIRY
Web: http://www.aptochem.com
E-Mail:

Address: 7171 Frederick-Banting, Montreal, Quebec H4P 2R2, Canada
Phone: +1-(514)-496-4252 | Fax: +1-(514)-496-4253 | Map/Directions >>

Profile: Synthese AptoChem Inc. specializes in the custom synthesis of stable labeled and radiolabeled reference standards, test articles, pharmaceuticals & their metabolites. We synthesize a wide variety of small molecules and fine chemicals in the milligram to gram scale. Our custom synthesis services include stable labeled compounds, radiolabeled compounds, active pharmaceutical ingredients, drug metabolites and pharmaceutical impurities & analogs. Our products include atorvastatin lactone, beclomethasone 17-monopropionate, benazeprilate, carboxyterfenadine hydrochloride, carboxyterfenadine, carebastine, cilazaprilat, ciprofloxacin-piperazinyl-n-sulfate, clevidipine metabolite and clopidogrelat.

1 to 50 of 412 Products/Chemicals (Click for related suppliers) Page: [1] 2 3 4 5 6 7 8 9

• 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:	C₁₈H₂₈N₂O₄	Molecular Weight:	336.425920 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: GOEMGAFJFRBGGG-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:	C₈H₉NO₂	Molecular Weight:	151.162560 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: RZVAJINKPMORJF-UHFFFAOYSA-N

• Acitretin

IUPAC Name: (2E,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid | CAS Registry Number: 55079-83-9
Synonyms: Soriatane, Etretin, Acitretine, Neotigason, Retinoid etretin, Acitretina, Acitretinum, Isoacitretin, Isoetretin, Tigason, all-trans-Acitretin, Acitretine [French], Acitretinum [Latin], TMMP, Soriatane (TN), Acitretina [Spanish], 13-cis-Acitretin, Acitretin (USAN/INN), Spectrum5_002065, CCRIS 5534

Molecular Formula:	C₂₁H₂₆O₃	Molecular Weight:	326.429340 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: IHUNBGSDBOWDMA-AQFIFDHZSA-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:	C₈H₁₁N₅O₃	Molecular Weight:	225.204640 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	7

InChIKey: MKUXAQIIEYXACX-UHFFFAOYSA-N

• Adefovir Dipivoxil

IUPAC Name: [2-(6-aminopurin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate | CAS Registry Number: 142340-99-6
Synonyms: Hepsera, Preveon, Adefovir pivoxil, ADEFOVIR DIPIVOXIL, Adefovirdipivoxl, YouHeDing, adefovir depivoxil, Bis(pom)PMEA, Hepsera (TN), Piv2PMEA, ADEFOVIR, bis-POM PMEA, PMEA, Bis(POM)-PMEA, Ambap2538, Adefovir pivoxil (JAN), Adefovir dipivoxil (USAN), C20H32N5O8P, GS 840, GS-840

Molecular Formula:	C₂₀H₃₂N₅O₈P	Molecular Weight:	501.470541 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	13

InChIKey: WOZSCQDILHKSGG-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:	C₂₇H₂₉NO₁₁	Molecular Weight:	543.519260 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	12

InChIKey: AOJJSUZBOXZQNB-TZSSRYMLSA-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:	C₄H₁₈NNaO₁₀P₂	Molecular Weight:	325.123712 [g/mol]
H-Bond Donor:	8	H-Bond Acceptor:	11

InChIKey: DCSBSVSZJRSITC-UHFFFAOYSA-M

• 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:	C₁₉H₂₇N₅O₄	Molecular Weight:	389.448780 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	8

InChIKey: WNMJYKCGWZFFKR-UHFFFAOYSA-N

• Aliskiren

IUPAC Name: (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide | CAS Registry Number: 173334-57-1
Synonyms: Rasilez, Aliskiren [INN], Rasilez (TN), Aliskiren (USAN/INN), SPP100, SPP 100, CID5493444, DB01258, D03208, (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide, C41

Molecular Formula:	C₃₀H₅₃N₃O₆	Molecular Weight:	551.758320 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	7

InChIKey: UXOWGYHJODZGMF-QORCZRPOSA-N

• Alprostadil

IUPAC Name: 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid | CAS Registry Number: 745-65-3
Synonyms: alprostadil, Prostaglandin E1, Befar, Prostandin, Prostavasin, Caverject, Topiglan, Femprox, Sugiran, Viridal, Alista, Prink, Edex, Muse, FemLife, Prostin VR, Alprox-TD, PGE1, PGE1 Oligomer, Befar (TN)

Molecular Formula:	C₂₀H₃₄O₅	Molecular Weight:	354.480960 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: GMVPRGQOIOIIMI-DWKJAMRDSA-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:	C₂₅H₂₉I₂NO₃	Molecular Weight:	645.311600 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: IYIKLHRQXLHMJQ-UHFFFAOYSA-N

• Amitriptyline

Synonyms: amitriptyline, Triptanol, Damilen, Lantron, Seroten, Flavyl, Damitriptyline, Proheptadiene, Amitriptylin, Triptilin, Triptisol, Tryptanol, Adepress, Adepril, Laroxyl, Redomex, Elavil, Amitriprolidine, Amytriptylin, Lentizol

Molecular Formula:	C₂₀H₂₃N	Molecular Weight:	277.403320 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: KRMDCWKBEZIMAB-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:	C₂₀H₂₅ClN₂O₅	Molecular Weight:	408.875900 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: HTIQEAQVCYTUBX-UHFFFAOYSA-N

• Amlodipine Maleate

IUPAC Name: (Z)-but-2-enedioic acid; 3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate | CAS Registry Number: 88150-47-4
Synonyms: Amvaz, Amlodipine maleate, Amvaz (TN), Amlodipine maleate [USAN], Amlodipine maleate (USAN), Amlodipine (+-)-form maleate, C20H25ClN2O5.C4H4O4, UK 48,340-11, LS-178036, D02914, 3,5-Pyridinedicarboxylic acid, 2-((2-aminoethoxy)methyl)-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-, 3-ethyl 5-methyl ester, (+-)-, (Z)-2-butenedioate (1:1), 3-Ethyl 5-methyl (+-)-2-((2-aminoethoxy)methyl)-4-(o-chlorophenyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate, maleate (1:1), 88150-42-9

Molecular Formula:	C₂₄H₂₉ClN₂O₉	Molecular Weight:	524.948060 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	11

InChIKey: TZNOWAJJWCGILX-BTJKTKAUSA-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:	C₂₀H₂₂ClN₃O	Molecular Weight:	355.861180 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: OVCDSSHSILBFBN-UHFFFAOYSA-N

• Amoxapine

IUPAC Name: 8-chloro-6-piperazin-1-ylbenzo[b][1,5]benzoxazepine | CAS Registry Number: 14028-44-5
Synonyms: amoxapine, Asendin, Amoxepine, Demolox, Moxadil, Amoxan, Desmethylloxapin, Desmethylloxapine, Prestwick_503, Asendin (TN), Amoxapinum [INN-Latin], Amoxapina [INN-Spanish], Spectrum_000446, Lopac-A-129, Prestwick0_000102, Prestwick1_000102, Prestwick2_000102, Prestwick3_000102, Spectrum2_001245, Spectrum3_001067

Molecular Formula:	C₁₇H₁₆ClN₃O	Molecular Weight:	313.781440 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: QWGDMFLQWFTERH-UHFFFAOYSA-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:	C₁₆H₁₉N₃O₅S	Molecular Weight:	365.404160 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	6

InChIKey: LSQZJLSUYDQPKJ-NJBDSQKTSA-N

• Ampicillin

IUPAC Name: (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | CAS Registry Number: 69-53-4
Synonyms: ampicillin, Omnipen, Ampicillin acid, Tokiocillin, Principen, Synpenin, Amcill, D-Ampicillin, Bonapicillin, Racenacillin, Totalciclina, Adobacillin, Ampicilline, Amplacilina, Amplipenyl, Campicillin, Copharcilin, Divercillin, Doktacillin, Duphacillin

Molecular Formula:	C₁₆H₁₉N₃O₄S	Molecular Weight:	349.404760 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: AVKUERGKIZMTKX-NJBDSQKTSA-N

• Amprenavir

IUPAC Name: [(3S)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate | CAS Registry Number: 161814-49-9
Synonyms: amprenavir, Agenerase, Prozei, Vertex, Vertex VX478, 1hpv, Amprenavir [USAN], Agenerase (TM), Agenerase (TN), GNA & Amprenavir, HHA & Amprenavir, 1t7j, VX-478, VX 478, HSDB 7157, Amprenavir (JAN/USAN/INN), DRG-0258, C25H35N3O6S, CHEBI:40050, KVX-478

Molecular Formula:	C₂₅H₃₅N₃O₆S	Molecular Weight:	505.626900 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	8

InChIKey: YMARZQAQMVYCKC-OEMFJLHTSA-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:	C₁₇H₁₉N₅	Molecular Weight:	293.366260 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: YBBLVLTVTVSKRW-UHFFFAOYSA-N

• Aniprime

IUPAC Name: (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-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: 2135-17-3
Synonyms: flumethasone, Flumetasone, Flucorticin, Flumethason, Cortexilar, Anaprime, Methagon, Flucort, Fluvet, Flumethasonum, Fluorodexamethasone, Flucort (Veterinary), Prestwick_229, Flumetasone (INN), 6alpha-Fluorodexamethasone, Flumethasone (USAN), Flumetasonum [INN-Latin], Flumethasone [USAN:BAN], 6-alpha-Fluorodexamethasone, Flumetasona [INN-Spanish]

Molecular Formula:	C₂₂H₂₈F₂O₅	Molecular Weight:	410.451526 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	7

InChIKey: WXURHACBFYSXBI-GQKYHHCASA-N

• Aptivus

IUPAC Name: N-[3-[(1R)-1-[(2R)-6-hydroxy-4-oxo-2-phenethyl-2-propyl-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide | CAS Registry Number: 174484-41-4
Synonyms: Tipranavir, 1d4y, 2o4l, 2o4n, 2o4p, AIDS032941, PNU-140690, AIDS-032941, CID65027, PNU-140690E, DB00932, PNU 140690, 191150-83-1 (DISODIUM SALT), U-140690, U 140690, TPV, 2-Pyridinesulfonamide, N-(3-((1R)-1-((6R)-5,6-dihydro-4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-2H-pyran-3-yl)propyl)phenyl)-5-(trifluoromethyl)-, 2-Pyridinesulfonamide, N-(3-(1-(5,6-dihydro-4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-2H-pyran-3-yl)propyl)phenyl)-5-(trifluoromethyl)-, (R-(R*,R*))-, 2-Pyridinesulfonamide, N-[3-[(1R)-1-[(6R)-5,6-dihydro-4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-2H-pyran-3-yl]propyl]phenyl]-5-(trifluoromethyl)-, N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE

Molecular Formula:	C₃₁H₃₃F₃N₂O₅S	Molecular Weight:	602.664330 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	10

InChIKey: NZPXPXAGXYTROM-FYBSXPHGSA-N

• Arabinofuranosyluracil

IUPAC Name: 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione | CAS Registry Number: 3083-77-0
Synonyms: Spongouridin, Spongouridine, Arauridine, Arabinosyluracil, Uracil arabinoside, Uridine arabinoside, Ara-U, Spongouridine (VAN), ARABINOFURANOSYLURACIL, 1-beta-D-Arabinofuranosyluracil, 1beta-D-Arabinofuranosyluracil, 1-beta-D-Arabinofurnosyluracil, Uracil-beta-D-arabinofuranoside, U5377_SIGMA, STOCK1N-03114, EINECS 221-386-9, Uracil, 1-beta-D-arabinofuranosyl-, NSC 68928, Uracil 1-beta-D-arabinofuranoside, BRN 0028749

Molecular Formula:	C₉H₁₂N₂O₆	Molecular Weight:	244.201380 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	6

InChIKey: DRTQHJPVMGBUCF-CCXZUQQUSA-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:	C₂₃H₂₇Cl₂N₃O₂	Molecular Weight:	448.385380 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: CEUORZQYGODEFX-UHFFFAOYSA-N

• Ascorbic Acid

IUPAC Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one | CAS Registry Number: 50-81-7
Synonyms: ascorbic acid, l-ascorbic acid, vitamin C, Ascorbicap, ascorbate, L-ascorbate, Ascoltin, Ascorbutina, Laroscorbine, Testascorbic, Vitascorbol, Allercorb, Ascorbajen, Ascorteal, Cescorbat, Cetemican, Cevitamin, Citriscorb, Lemascorb, Natrascorb

Molecular Formula:	C₆H₈O₆	Molecular Weight:	176.124120 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	6

InChIKey: TYQCGQRIZGCHNB-JLAZNSOCSA-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:	C₉H₈O₄	Molecular Weight:	180.157420 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: BSYNRYMUTXBXSQ-UHFFFAOYSA-N

• Atazanavir

IUPAC Name: methyl N-[(2S)-1-[[(2S,3S)-3-hydroxy-4-[[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-[(4-pyridin-2-ylphenyl)methyl]amino]-1-phenylbutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate | CAS Registry Number: 198904-31-3
Synonyms: Latazanavir, Zrivada, Reyataz, Atazanavir sulfate, 2aqu, Atazanavir (INN), Reyataz (TN), Atazanavir [INN:BAN], Reyataz (*1:1 sulfate*), BMS 232632, BMS-232632, CHEBI:37924, HSDB 7339, CGP 73547, AIDS057755, AIDS-057755, CGP-73547, CID148192, DB01072, LS-183909

Molecular Formula:	C₃₈H₅₂N₆O₇	Molecular Weight:	704.855480 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	9

InChIKey: AXRYRYVKAWYZBR-GASGPIRDSA-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:	C₁₄H₂₂N₂O₃	Molecular Weight:	266.336080 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: METKIMKYRPQLGS-UHFFFAOYSA-N

• Atomoxetine

IUPAC Name: (3R)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine | CAS Registry Number: 83015-26-3
Synonyms: Tomoxetine, Tomoxetine [INN], Tomoxetinum [Latin], Tomoxetina [Spanish], (-)-Tomoxetine, Atomoxetine (INN), Tocris-2011, PDSP1_000504, PDSP2_000502, DB00289, NCGC00025345-01, LS-187331, D07473, (3R)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine, Benzenepropanamine, N-methyl-gamma-(2-methylphenoxy)-, (gammaR)-, Tomoxetine Hydrochloride (CAS 82248-59-7) (-) (R) Tomoxetine is CAS 83015-26-3 (-)

Molecular Formula:	C₁₇H₂₁NO	Molecular Weight:	255.354740 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: VHGCDTVCOLNTBX-QGZVFWFLSA-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:	C₃₃H₃₅FN₂O₅	Molecular Weight:	558.639803 [g/mol]
H-Bond Donor:	4	H-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:	C₆₆H₆₈CaF₂N₄O₁₀	Molecular Weight:	1155.341726 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	14

InChIKey: FQCKMBLVYCEXJB-MNSAWQCASA-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:	C₂₂H₁₉ClO₃	Molecular Weight:	366.837460 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: BSJMWHQBCZFXBR-UHFFFAOYSA-N

• Atropine

IUPAC Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate | CAS Registry Number: 51-55-8
Synonyms: ATROPINE, dl-Hyoscyamine, Tropine tropate, hyoscyamine, Atropin, dl-Tropyltropate, Atropinol, Eyesules, Atropen, Isopto-atropine, Troyl tropate, Atropine sulfate, Atropin [German], Belladenal, Atropin-flexiolen, Atropina, Cytospaz, Donnagel, Donnatal, Anaspaz

Molecular Formula:	C₁₇H₂₃NO₃	Molecular Weight:	289.369420 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: RKUNBYITZUJHSG-PJPHBNEVSA-N

• Baclofen

IUPAC Name: 4-amino-3-(4-chlorophenyl)butanoic acid | CAS Registry Number: 1134-47-0
Synonyms: baclofen, Lioresal, Kemstro, Baclophen, Gabalon, Baclon, DL-Baclofen, Baclospas, Genpharm, Atrofen, Clofen, ApoBaclofen, GenBaclofen, Lebic, NuBaclo, Baclof?neIrex, Chlorophenyl GABA, d-Baclofen, l-Baclofen, Apo Baclofen

Molecular Formula:	C₁₀H₁₂ClNO₂	Molecular Weight:	213.660780 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: KPYSYYIEGFHWSV-UHFFFAOYSA-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:	C₁₇H₁₅N₃O₆	Molecular Weight:	357.317500 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	8

InChIKey: KONZVQJABTUMFX-NDENLUEZSA-N

• Balsalazide disodium dihydrate

IUPAC Name: disodium (3Z)-3-[[4-[(3-oxido-3-oxopropyl)carbamoyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate dihydrate | CAS Registry Number: 150399-21-6
Synonyms: Colazide, Balsalazide Disodium, Colazide (TN), Balsalazide disodium hydrate, Balsalazide disodium (USAN), Balsalazide disodium [USAN], D02715, Benzoic acid, 5-((1E)-(4-(((2-carboxyethyl)amino)carbonyl)phenyl)azo)-2-hydroxy-, disodium salt, dihydrate

Molecular Formula:	C₁₇H₁₇N₃Na₂O₈	Molecular Weight:	437.311720 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	10

InChIKey: HYSVUPBQPCRAJM-PIFVRXTCSA-L

• 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:	C₂₂H₂₉ClO₅	Molecular Weight:	408.915660 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: NBMKJKDGKREAPL-DVTGEIKXSA-N

• Benazepril

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 | CAS Registry Number: 86541-75-5
Synonyms: benazepril, Lotrel, benazapril, benzazepril, Lotensin, Mixture Name, Benazepril Sandoz, Benazeprilum [Latin], Benazepril (INN), Forteekor [veterinary], Spectrum_001922, Benazepril [INN:BAN], Benazepril Sandoz (TN), Spectrum2_000482, Spectrum3_001674, Spectrum4_000286, Spectrum5_001546, BSPBio_003487, KBioGR_000812, KBioSS_002464

Molecular Formula:	C₂₄H₂₈N₂O₅	Molecular Weight:	424.489520 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: XPCFTKFZXHTYIP-PMACEKPBSA-N

• Benzatropine

IUPAC Name: (1R,5S)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane | CAS Registry Number: 86-13-5
Synonyms: benztropine, CHEBI:518418, CID1201549, NCGC00159471-02, (1R,5S)-3-(benzhydryloxy)-8-methyl-8-aza-bicyclo[3.2.1]octane, (3-endo)-3-[(diphenylmethyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane

Molecular Formula:	C₂₁H₂₅NO	Molecular Weight:	307.429300 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: GIJXKZJWITVLHI-YOFSQIOKSA-N

• Betahistine Dihydrochloride

IUPAC Name: N-methyl-2-pyridin-2-ylethanamine dihydrochloride | CAS Registry Number: 5579-84-0
Synonyms: Serc, Betaserc, Microser, Vasomotal, Antivom, Betahistine hydrochloride, Serc (TN), Betahistine dihydrochloride, PT 9, C8H12N2.HCl, Betahistine hydrochloride [USAN], SPECTRUM1500670, Betahistine hydrochloride (USP), EINECS 226-966-5, NCGC00095910-01, LS-131555, 2-(2-(Methylamino)ethyl)pyridine dihydrochloride, 2-Pyridineethanamine, N-methyl-, dihydrochloride, D03102, 5638-76-6

Molecular Formula:	C₈H₁₄Cl₂N₂	Molecular Weight:	209.116160 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	2

InChIKey: XVDFMHARQUBJRE-UHFFFAOYSA-N

• Betaxolol Hcl

IUPAC Name: 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol hydrochloride | CAS Registry Number: 63659-19-8
Synonyms: Betoptic, Kerlone, Betaxolol hydrochloride, Betoptima, Kerlon, betaxolol, Betoptic S, Kerlong, Betaxolol HCL, Betoptic (TN), Prestwick_779, Kerlone (TN), KERLEDEX, BETOPTIC PILO, Betaxolol hydrochloride [USAN], C18H29NO3.HCl, MLS000028464, MLS000758269, MLS000863279, MLS001148209

Molecular Formula:	C₁₈H₃₀ClNO₃	Molecular Weight:	343.888700 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: CHDPSNLJFOQTRK-UHFFFAOYSA-N

• Bezafibrate

IUPAC Name: 2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-2-methylpropanoic acid | CAS Registry Number: 41859-67-0
Synonyms: bezafibrate, Cedur, Bezalip, Bezafibrat, durabezur, Reducterol, Sklerofibrat, Azufibrat, Befibrat, Bezabeta, Bezafisal, Bezamerck, Difaterol, Befizal, Bezacur, Bezatol, Eulitop, Solibay, Lipox, BezaLande

Molecular Formula:	C₁₉H₂₀ClNO₄	Molecular Weight:	361.819400 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: IIBYAHWJQTYFKB-UHFFFAOYSA-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:	C₁₈H₁₄F₄N₂O₄S	Molecular Weight:	430.373373 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	9

InChIKey: LKJPYSCBVHEWIU-KRWDZBQOSA-N

• Bifonazole

IUPAC Name: 1-[phenyl-(4-phenylphenyl)methyl]imidazole | CAS Registry Number: 60628-96-8
Synonyms: bifonazole, Mycospor, Trifonazole, Bifonazol, Amycor, Azolmen, Bifokey, Bifomyk, Moldina, Bifon, Mycospor (TN), Bifonazol [INN-Spanish], Bifonazolum [INN-Latin], BAY H 4502, Canesten Extra Bifonazol, Bayer brand of bifonazole, Spectrum2_000035, Spectrum3_001970, Bay H-4502, Bioglan brand of bifonazole

Molecular Formula:	C₂₂H₁₈N₂	Molecular Weight:	310.391720 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: OCAPBUJLXMYKEJ-UHFFFAOYSA-N

• Biotin

IUPAC Name: 5-[(3aR,6S,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]pentanoic acid | CAS Registry Number: 58-85-5
Synonyms: biotin, d-biotin, coenzyme R, vitamin H, Bioepiderm, Vitamin B7, Biodermatin, Medebiotin, Injacom H, Meribin, Factor S, beta-Biotin, Vitamin Bw, Bios II, 1avd, 1ndj, 1stp, 1swg, 1swk, 1swn

Molecular Formula:	C₁₀H₁₆N₂O₃S	Molecular Weight:	244.310640 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: YBJHBAHKTGYVGT-ZKWXMUAHSA-N

• Bisoprolol fumarate

IUPAC Name: (E)-but-2-enedioic acid; 1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol; 1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol | CAS Registry Number: 104344-23-2
Synonyms: Zebeta, Bisobloc, Bisomerck, Maintate, Euradal, Fondril, Monocor, Concor, Soprol, Emcor, Godal, Biso-Puren, Concor Plus Forte, Zebeta (TN), Bisoprolol hemifumarate, Bisoprolol hemifumarate salt, B2185_SIGMA, Bisoprolol fumarate (JAN/USP), Bisoprolol fumarate [USAN:JAN], EMD 33512

Molecular Formula:	C₄₀H₆₆N₂O₁₂	Molecular Weight:	766.958240 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	14

InChIKey: VMDFASMUILANOL-WXXKFALUSA-N

• Bromocriptine Mesylate

Synonyms: Parlodel, Bromergon, Pravidel, Bagren, Bromocriptine mesilate, Bromocryptine mesylate, BROMOCRIPTINE MESYLATE, Parlodel (TN), Prestwick_771, Bromocriptine methanesulfonate, Bromocryptine methanesulfonate, Bromocriptine mesylate [USAN], 2-Bromoergocryptine Mesylate, 2-Bromo-alpha-ergocryptine mesylate, Bromocriptine mesylate (USP), Bromocriptine mesilate (JP15), CHEBI:3182, EINECS 244-881-1, C32H40BrN5O5.CH4O3S, CB 154 methanesulfonate (salt)

Molecular Formula:	C₃₃H₄₄BrN₅O₈S	Molecular Weight:	750.700160 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	10

InChIKey: NOJMTMIRQRDZMT-GSPXQYRGSA-N

• bucillamine

IUPAC Name: (2R)-2-[(2-methyl-2-sulfanylpropanoyl)amino]-3-sulfanylpropanoic acid | CAS Registry Number: 65002-17-7
Synonyms: Tiobutarit, Bucilant, Rimatil, Bucilant (TN), Bucillamine (JP15/INN), De-019, SA-96, D01809

Molecular Formula:	C₇H₁₃NO₃S₂	Molecular Weight:	223.313020 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: VUAFHZCUKUDDBC-BYPYZUCNSA-N

• Buclizine

IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-4-[(4-chlorophenyl)-phenylmethyl]piperazine | CAS Registry Number: 82-95-1
Synonyms: Vibazine, Histabuticine, Histabutizine, Histabutyzine, Buclifen, Buclina, Aphilan-R base, Buclodin, Longifene, Softran, Aphilan R, Vibazine hydrochloride, Buclizine (INN), Buclizine hydrochloride, Buclina (TN), Buclizinum [INN-Latin], component of Softran, Buclizina [INN-Spanish], Buclizine dihydrochloride, Buclizine [INN:BAN]

Molecular Formula:	C₂₈H₃₃ClN₂	Molecular Weight:	433.028020 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: MOYGZHXDRJNJEP-UHFFFAOYSA-N

• Buspirone Hydrochloride

IUPAC Name: 8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione hydrochloride | CAS Registry Number: 33386-08-2
Synonyms: Buspar, Buspirone hydrochloride, Buspimen, Narol, Anxiolan, Busirone, Buspinol, Effiplen, Establix, Kallmiren, Normaton, Spamilan, Ansitec, Anxinil, Censpar, Lucelan, Mabuson, Barpil, Bespar, Itagil

Molecular Formula:	C₂₁H₃₂ClN₅O₂	Molecular Weight:	421.964080 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: RICLFGYGYQXUFH-UHFFFAOYSA-N