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CacheSyn Inc.

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Profile: CacheSyn Inc. deals with heterocyclic compounds and pharmaceutical intermediates. We serve universities, research institutions, regulatory agencies, hospitals, pharmaceutical and related industries. Our products include abacavir, acamprosate-d3 calcium, n-acetylhomotaurine-d6, acemetacin-acyl-β-d-glucuronide, 3-hydroxyacetaminophen-d3, acetaminophen mercapturate, acetaminophen glucuronide sodium salt and acetaminophen sulfate potassium salt. We provide custom synthesis services for specialty products. We specialize in stable isotope labeled compounds, rare sugars and carbohydrate based compounds, advanced intermediates & resolution of enantiomers.

1 to 50 of 227 Products/Chemicals (Click for related suppliers)  Page: [1] 2 3 4 5 >> Next 50 Results
• Acenocoumarol (nicoumalone)
IUPAC Name: 2-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]chromen-4-one | CAS Registry Number: 152-72-7
Synonyms: Acenocoumarin, ACENOCOUMAROL, Nicoumalone, Nitrovarfarian, Nitrowarfarin, Nicumalon, Sinthrome, Syncoumar, Sinkumar, Syncumar, Sintrom, Acenocumarol, Acenocumarolum, Neositron, Sincoumar, Sinthrom, Sintroma, Synthrom, Ascumar, Syntrom

Molecular Formula: C19H15NO6Molecular Weight: 353.325500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: WWBYDEQHYAEHLT-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

• Acetylsalicylic anhydride
IUPAC Name: (2-acetyloxybenzoyl) 2-acetyloxybenzoate | CAS Registry Number: 1466-82-6
Synonyms: Contraflu, Pircan, Vigal, Aspirin anhydride, 2-Acetoxybenzoic anhydride, Salicylic anhydride, diacetate, Acetylsalicylic acid anhydride, o-Acetylsalicylic anhydride, NCIOpen2_008010, Salicylic acid, acetate, anhydride, 01460_FLUKA, 2-(Acetyloxy)benzoic acid anhydride, EINECS 215-987-5, Salicylic acid acetate, anhydride, NSC 63848, NSC 80056, NSC63848, NSC80056, SALICYLIC ANHYDRIDE DIACETATE, BRN 2015320

Molecular Formula: C18H14O7Molecular Weight: 342.299560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: OAWXYINGQXLWOE-UHFFFAOYSA-N

• Acetylsalicylsalicyic acid
IUPAC Name: 2-(2-acetyloxybenzoyl)oxybenzoic acid | CAS Registry Number: 530-75-6
Synonyms: Prestwick_544, Spectrum_001708, SpecPlus_000894, ACETYLSALICYLSALICYLIC ACID, Prestwick0_000098, Prestwick1_000098, Prestwick2_000098, Prestwick3_000098, Spectrum2_001664, Spectrum3_000725, Spectrum4_001118, Spectrum5_001849, ACETYLSALICYLIC ACID, CCRIS 1740, BSPBio_000056, BSPBio_002250, KBioGR_001596, KBioSS_002188, MLS002154199, DivK1c_006990

Molecular Formula: C16H12O6Molecular Weight: 300.262880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: DDSFKIFGAPZBSR-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

• 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

• Adrenal
IUPAC Name: 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol | CAS Registry Number: 51-43-4
Synonyms: epinephrine, l-Adrenaline, adrenaline, Adrenalin, Levoepinephrine, L-epinephrine, Adrenalinum, Epinephran, Epipen, l-Epirenamine, Antiasthmatique, Methylarterenol, Esphygmogenina, Hypernephrin, Isoptoepinal, Racepinephrine, Renostypticin, Sphygmogenin, Stryptirenal, Supracapsulin

Molecular Formula: C9H13NO3Molecular Weight: 183.204420 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 4

InChIKey: UCTWMZQNUQWSLP-VIFPVBQESA-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

• 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

• Alprazolam
IUPAC Name: 8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine | CAS Registry Number: 28981-97-7
Synonyms: alprazolam, Xanax, Trankimazin, Cassadan, Esparon, Ralozam, Alprox, Tafil, Novo-Alprazol, Alprazolamum, Alprazolan, Tranquinal, Alpronax, Apo-Alpraz, Intensol, Prazolan, Tensivan, Tricalma, Alcelam, Alzolam

Molecular Formula: C17H13ClN4Molecular Weight: 308.764920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: VREFGVBLTWBCJP-UHFFFAOYSA-N

• Alvimopan
IUPAC Name: 2-[[(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoyl]amino]acetic acid | CAS Registry Number: 156053-89-3
Synonyms: Alvimopan anhydrous, UNII-Q153V49P3Z, CHEBI:535293, 170098-38-1 (dihydrate), CID5488548, LY246736, trans-3,4-dimethyl-4-(3-hydroxyphenyl) piperidine, 2-((S)-2-benzyl-3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)propanamido)acetic acid, Glycine, N-((2S)-2-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl)methyl)-1-oxo-3-phenylpropyl)-

Molecular Formula: C25H32N2O4Molecular Weight: 424.532580 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: UPNUIXSCZBYVBB-JVFUWBCBSA-N

• Amfepramone
IUPAC Name: 2-(diethylamino)-1-phenylpropan-1-one | CAS Registry Number: 90-84-6
Synonyms: Diethylpropione, DIETHYLPROPION, Nopropiophenone, Amphepramone, Amfepramon, Amphepramon, Frekentine, Adiposon, Cegramine, Obesitex, Danylen, Dobesin, Magrene, Silutin, Tepanil, Tylinal, Anorex, Derfon, Neobes, Amfepramonum

Molecular Formula: C13H19NOMolecular Weight: 205.296060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: XXEPPPIWZFICOJ-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

• Amlexanox
IUPAC Name: 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylic acid | CAS Registry Number: 68302-57-8
Synonyms: amlexanox, Aphthasol, Amoxanox, Solfa, Amlenanox, Aptheal, Apthera, Elics, OraRinse, Amlexanoxum [Latin], Amlexanoxo [Spanish], OraDisc A, Aphthasol (TN), Solfa (TN), Amlexanox [USAN:INN:JAN], CCRIS 2686, AA-673, Amlexanox (JAN/USAN/INN), CHX 3673, MLS000759466

Molecular Formula: C16H14N2O4Molecular Weight: 298.293360 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: SGRYPYWGNKJSDL-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

• 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

• 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: C25H35N3O6SMolecular Weight: 505.626900 [g/mol]
H-Bond Donor: 3H-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: C17H19N5Molecular Weight: 293.366260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: YBBLVLTVTVSKRW-UHFFFAOYSA-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

• Ascomycin [fk-520]
Synonyms: ascomycin, AIDS093221, AIDS-093221, NSC106410, FR-900520, 15,19-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 8-ethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-3-[(1E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl]-14,16-dimethoxy-4,10,12,18-tetramethyl-, (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-

Molecular Formula: C43H69NO12Molecular Weight: 792.007460 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 12

InChIKey: ZDQSOHOQTUFQEM-BFFCMSJVSA-N

• Asoxime Chloride
IUPAC Name: [(Z)-[1-[(4-carbamoylpyridin-1-ium-1-yl)methoxymethyl]pyridin-2-ylidene]methyl]-oxoazanium dichloride | CAS Registry Number: 34433-31-3
Synonyms: Asoxime chloride, HI-6 Dichloride, HI 6, CCRIS 7699, HI-6, HJ 6, CID5484128, WR 249655, (((4-(Iminocarbonyl)pyridinio)methoxy)methyl)-2-((hydroxyimino)methyl)pyridinium dichloride, 4'-Carbamoyl-2-formyl-1,1'-(oxydimethylene)di-pyridinium-dichloride-2-oxime, Pyridinium, 1-(((4-(aminocarbonyl)pyridinio)methoxy)methyl)-2-((hydroxyimino)methyl)-, 2Cl, Pyridinium, 4'-carbamoyl-2-formyl-1,1'-(oxydimethylene)di-, dichloride, 2-oxime, 1-(2-Hydroxyiminomethyl-1-pyridino)-3-(4-carbamoyl-1-pyridino)-2-oxapropane dichloride monohydrate

Molecular Formula: C14H16Cl2N4O3Molecular Weight: 359.207840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: QELSIJXWEROXOE-WOAHMTPUSA-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

• 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 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

• 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

• Avanafil
IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide | CAS Registry Number: 330784-47-9
Synonyms: UNII-DR5S136IVO, TA 1790, 330785-17-6, 5-Pyrimidinecarboxamide, 4-(((3-chloro-4-methoxyphenyl)methyl)amino)-2-((2S)-2-(hydroxymethyl)-1-pyrrolidinyl)-N-(2-pyrimidinylmethyl)-, 647841-09-6

Molecular Formula: C23H26ClN7O3Molecular Weight: 483.950640 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 9

InChIKey: WEAJZXNPAWBCOA-UHFFFAOYSA-N

• Azithromycin
IUPAC Name: (2R,3S,4S,5R,6R,8R,11R,12R,13S,14R)-5-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-6,12,13-trihydroxy-3-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,4,6,8,10,11,13-heptamethyl-15-oxa-10-azacyclopentadecan-1-one | CAS Registry Number: 83905-01-5
Synonyms: azithromycin, Zithromax, Zitromax, Sumamed, Zmax, Azythromycin, Toraseptol, Zithromycin, Azitrocin, Azitromax, Hemomycin, Misultina, Mixoterin, Zentavion, Zithromac, Zitrotek, Azasite, Zithrax, Azenil, Aziwok

Molecular Formula: C38H72N2O12Molecular Weight: 748.984480 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 14

InChIKey: MQTOSJVFKKJCRP-BICOPXKESA-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

• Benserazide
IUPAC Name: 2-amino-3-hydroxy-N'-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazide | CAS Registry Number: 322-35-0
Synonyms: benserazide, Serazide, Madopa, Benserazida, Benserazidum, Mixture Name, Spectrum_000070, Benserazidum [INN-Latin], Benserazida [INN-Spanish], Prestwick0_000938, Prestwick1_000938, Prestwick2_000938, Prestwick3_000938, Spectrum2_000140, Spectrum3_000312, Spectrum4_000247, Spectrum5_000856, Benserazide (USAN/INN), UNII-762OS3ZEJU, Seryltrihydroxybenzylhydrazine

Molecular Formula: C10H15N3O5Molecular Weight: 257.243200 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 7

InChIKey: BNQDCRGUHNALGH-UHFFFAOYSA-N

• Betaxolol Hydrochloride
IUPAC Name: 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol | CAS Registry Number: 63659-18-7
Synonyms: betaxolol, Betazolol, Betoptic, Kerlone, Betaxolol HCL, Betaxolol (TN), Betaxolol (INN), Betaxololum [INN-Latin], Betaxolol hydrochloride, Betaxolol [INN:BAN], Prestwick0_000382, Prestwick1_000382, Prestwick2_000382, Prestwick3_000382, Lopac0_000193, BSPBio_000563, SPBio_002484, BPBio1_000621, C18H29NO3, CID2369

Molecular Formula: C18H29NO3Molecular Weight: 307.427760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: NWIUTZDMDHAVTP-UHFFFAOYSA-N

• Bethanechol Chloride
IUPAC Name: 2-carbamoyloxypropyl(trimethyl)azanium chloride | CAS Registry Number: 590-63-6
Synonyms: Urecholine, Bethanechol chloride, Besacholine, Mechotane, Mechothane, Mecothane, Myocholine, Mictone, Mictrol, Myotonachol, Duvoid, Uro-Carb, bethanechol, Urecholine chloride, Muscaran, Myotonine, Myotonine chloride, Urecholine (TN), Bethaine choline chloride, Carbamylmethylcholine chloride

Molecular Formula: C7H17ClN2O2Molecular Weight: 196.675080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

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

InChIKey: LKJPYSCBVHEWIU-KRWDZBQOSA-N

• Bisoprolol
IUPAC Name: 1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol | CAS Registry Number: 66722-44-9
Synonyms: BISOPROLOL, Concor, Bisoprolol fumarate, Bisoprolol fumerate, Bisoprololum [Latin], Bisoprolol hemifumarate, Bisoprolol (USAN/INN), Prestwick0_000330, Prestwick1_000330, Prestwick2_000330, Prestwick3_000330, Bisoprolol [USAN:BAN:INN], BSPBio_000339, SPBio_002260, BPBio1_000373, CHEBI:3127, C18H31NO4, CID2405, EMD-33512, DB00612

Molecular Formula: C18H31NO4Molecular Weight: 325.443040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: VHYCDWMUTMEGQY-UHFFFAOYSA-N

• 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

• Budesonide
Synonyms: budesonide, Entocort, Preferid, Pulmicort, Rhinocort, Rhinocort Aqua, Budenofalk, Inflammide, Cortivent, Horacort, Micronyl, Miflonide, Pulmaxan, Respules, Spirocort, Budeson, Budiair, Bidien, Rhinocort alpha, Giona Easyhaler

Molecular Formula: C25H34O6Molecular Weight: 430.533860 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: VOVIALXJUBGFJZ-KWVAZRHASA-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

• Buserelin
IUPAC Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide | CAS Registry Number: 57982-77-1
Synonyms: Tiloryth, BUSERELIN, Buserelin (INN), Tiloryth (TN), CID50225, NCGC00181295-01, D07259

Molecular Formula: C60H86N16O13Molecular Weight: 1239.424240 [g/mol]
H-Bond Donor: 15H-Bond Acceptor: 19

InChIKey: CUWODFFVMXJOKD-UVLQAERKSA-N

• Candesartan
IUPAC Name: 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid | CAS Registry Number: 139481-59-7
Synonyms: candesartan, Blopress, Blopress (TN), Candesartan [BAN], Candesartan cilexetil, Candesartan [USAN:INN], Candesartan (USAN/INN), CHEBI:3347, C24H20N6O3, CV 11974, CV-11974, CV11974, DB00796, NCGC00167474-01, LS-32740, SL-00802, TL8000897, C07468, D00522, C081643

Molecular Formula: C24H20N6O3Molecular Weight: 440.454000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 9

InChIKey: HTQMVQVXFRQIKW-UHFFFAOYSA-N

• Capecitabine
IUPAC Name: pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate | CAS Registry Number: 154361-50-9
Synonyms: Xeloda, CAPECITABINE, Capecitabine [USAN], Xeloda (TN), Capecitabine (JAN/USAN/INN), C15H22FN3O6, Ro 09-1978, DB01101, Ro-09-1978, LS-59070, N(4)-Pentyloxycarbonyl-5'-deoxy-5-fluorocytidine, Ro 09-1978/000, R-340, 5'-Deoxy-5-fluoro-N-((pentyloxy)carbonyl)cytidine, C12650, D01223, C110904, Cytidine, 5'-deoxy-5-fluoro-N-((pentyloxy)carbonyl)-, Pentyl 1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinecarbamate, Carbamic acid, (1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-, pentyl ester

Molecular Formula: C15H22FN3O6Molecular Weight: 359.350083 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: GAGWJHPBXLXJQN-UORFTKCHSA-N

• Carbamazepine-D10
IUPAC Name: 1,2,3,4,5,6,7,8,9,10-decadeuteriobenzo[b][1]benzazepine-11-carboxamide | CAS Registry Number: 132183-78-9
Synonyms: [2H10]-Carbamazepine, 5H-Dibenz[b,f]azepine-1,2,3,4,6,7,8,9,10,11-d10-5-carboxamide (9CI)

Molecular Formula: C15H12N2OMolecular Weight: 246.330198 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: FFGPTBGBLSHEPO-LHNTUAQVSA-N

• Carebastine
IUPAC Name: 2-[4-[4-[4-[di(phenyl)methoxy]piperidin-1-yl]butanoyl]phenyl]-2-methylpropanoic acid | CAS Registry Number: 90729-42-3
Synonyms: Carebastine [INN], Carebastinum [Latin], Carebastina [Spanish], C32H37NO4, LS-178123, A00013, p-(4-(4-(Diphenylmethoxy)piperidino)butyryl)-alpha-methylhydratropic acid, 2-(4-(4-(4-Benzhydryloxypiperidino)butyryl)phenyl)-2-methylpropionsaeure, Benzeneacetic acid, 4-(4-(4-(diphenylmethoxy)-1-piperidinyl)-1-oxobutyl)-alpha,alpha-dimethyl-

Molecular Formula: C32H37NO4Molecular Weight: 499.640480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: XGHOVGYJHWQGCC-UHFFFAOYSA-N

• Carprofen
IUPAC Name: 2-(6-chloro-9H-carbazol-2-yl)propanoic acid | CAS Registry Number: 53716-49-7
Synonyms: carprofen, Imadyl, Ridamyl, Rimadyl, Carprofeno [Spanish], Rimadyl (TN), Carprofene [INN-French], Carprofenum [INN-Latin], Carprofeno [INN-Spanish], Carprofen (USAN/INN), Spectrum2_001236, Spectrum3_000939, Spectrum4_001038, Spectrum5_001802, (+-)-isomer of carprofen, CCRIS 3507, C15H12ClNO2, KBioGR_001595, Carprofen [USAN:BAN:INN], Carprofen [USAN:INN:BAN]

Molecular Formula: C15H12ClNO2Molecular Weight: 273.714280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: PUXBGTOOZJQSKH-UHFFFAOYSA-N

• Cefprozil
IUPAC Name: (6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-[(E)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | CAS Registry Number: 92665-29-7
Synonyms: cefprozil, Brisoral, Cronocef, Arzimol, Cefprozil anhydrous, Serozil, Cefzil, Procef, Cefprozil (TN), Cefprozil (INN), Cefzil (TN), Cefprozilum [INN-Latin], Cefprozilo [INN-Spanish], BMY 28100, CID5281006, DB01150, KS-1039, NCGC00159513-02, LS-149959, C06888

Molecular Formula: C18H19N3O5SMolecular Weight: 389.425560 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: WDLWHQDACQUCJR-ZAMMOSSLSA-N

• 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

• Cephalexin
IUPAC Name: (6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | CAS Registry Number: 15686-71-2
Synonyms: cephalexin, Cefalexin, Cephalexine, Cephalexinum, Keflex, Sinthecillin, Carnosporin, Cefaleksin, Cefaseptin, Cephacillin, Cephanasten, Ceporexine, Cophalexin, Kefalospes, Lexibiotico, Ortisporina, Sencephalin, Tokiolexin, Alcephin, Alsporin

Molecular Formula: C16H17N3O4SMolecular Weight: 347.388880 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: ZAIPMKNFIOOWCQ-UEKVPHQBSA-N

• Chlorambucil
IUPAC Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoic acid | CAS Registry Number: 305-03-3
Synonyms: chlorambucil, Leukeran, Chloraminophen, Chloraminophene, Ambochlorin, Chlorbutin, Chloroambucil, Chlorobutine, Amboclorin, Chlorbutine, Chlorobutin, Lympholysin, Linfolizin, Linfolysin, Ecloril, Elcoril, Chloorambucol, Chlorbutinum, Leukersan, Leukoran

Molecular Formula: C14H19Cl2NO2Molecular Weight: 304.212160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: JCKYGMPEJWAADB-UHFFFAOYSA-N

• Chlordiazepoxide
IUPAC Name: 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine | CAS Registry Number: 58-25-3
Synonyms: chlordiazepoxide, Libritabs, Chloridiazepide, Helogaphen, Librelease, Chlozepid, Ifibrium, Kalmocaps, Librinin, Limbitrol, Psicosan, Silibrin, Viopsicol, Balance, Control, Decacil, Disarim, Elenium, Menrium, Mesural

Molecular Formula: C16H14ClN3OMolecular Weight: 299.754860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: BUCORZSTKDOEKQ-UHFFFAOYSA-N


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