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Agno Pharma

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Contact: Ben Zhang
Web: http://www.agnopharma.com
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Address: 1882 Yananxi Road, P.O. Box 303, Shangai 200336, China
Phone: +86-(21)-6237-8365 | Fax: +86-(21)-5208-0526 | Map/Directions >>

Profile: Agno Pharma offers API, pharmaceutical and agrochemical intermediate. Our intermediate plants are ISO 9001/14000 compliant. We offer fine chemical such as n-nitro-s-methyl isothiourea, n-amylbenzene, 4-pentylcyclohexanone, m-chloropropylbenzene, 4'-n-propylacetophenone and 1-indanone. We also produce 4-chlorophenylacetic acid, 2-methoxy-4-propionyl phenol, 7-chloro-3,4-dihydro-1hquinolin-2-one and 6-bromo-3,4-dihydro-1hquinolin-2-one.

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• Acetyl Hydrazide
IUPAC Name: acetohydrazide | CAS Registry Number: 1068-57-1
Synonyms: Acethydrazide, Acetylhydrazine, Acetohydrazide, Acetic hydrazide, Monoacetylhydrazine, Acetyl hydrazide, Acetyl hydrazine, N-Acetylhydrazine, Acetic acid hydrazide, Monoacetyl hydrazine, acethydrazine, acetylhydrazide, Ethanehydrazonic acid, Hydrazine, acetyl-, N-Acetyldiamine, AcN2 deriv, ACETIC ACID, HYDRAZIDE, acetohydrazonic acid, WLN: ZMV1, A8309_ALDRICH

Molecular Formula: C2H6N2OMolecular Weight: 74.081840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: OFLXLNCGODUUOT-UHFFFAOYSA-N

• alpha-Cyclohexylmandelic acid
IUPAC Name: 2-cyclohexyl-2-hydroxy-2-phenylacetic acid | CAS Registry Number: 4335-77-7
Synonyms: Lespedamine, Hexahydrobenzilic acid, ChemDiv2_000672, Phenyl-cyclohexylglycolic acid, RCC 32, Oprea1_543150, MLS001211653, (+-)-Cyclohexylphenylglycolic acid, alpha-Phenylcyclohexaneglycolic acid, EINECS 224-380-4, Cyclohexyl-hydroxy-phenyl-acetic acid, KL-007-M1, NSC 28945, NSC 93969, Cyclohexaneglycolic acid, alpha-phenyl-, NSC28945, NSC93969, SBB008619, FR-2333, Acide phenylcyclohexylhydroxyacetique [French]

Molecular Formula: C14H18O3Molecular Weight: 234.290920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: YTRNSQPXEDGWMR-UHFFFAOYSA-N

• Amlodipine III
IUPAC Name: 3-O-ethyl 5-O-methyl 4-(2-chlorophenyl)-2-(2,2-diethoxyethoxymethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate | CAS Registry Number: 103094-30-0
Synonyms: 3-Ethyl-5-methyl-4-(2-Chlorophenyl)-2-(2,2-diethoxy-ethoxymethyl)-6-Methyl-1,4-Dihydro-Pyridine-3,5-Didarboxylate, 3-ethyl-5-methyl-4-(2-chlorophenyl)-2-(2,2-diethoxy-ethoxymethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate, SureCN6586057, MolPort-005-938-192, AKOS015895335, AC-19467, AK-56116, FT-0655500, ST51052829, V1477, I06-0723, 3-Ethyl 5-methyl 4-(2-chlorophenyl)-2-((2,2-diethoxyethoxy)methyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

Molecular Formula: C24H32ClNO7Molecular Weight: 481.966380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: KTMYEIQDGDJJPE-UHFFFAOYSA-N

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

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

InChIKey: CEUORZQYGODEFX-UHFFFAOYSA-N

• Balsalazide Disodium
IUPAC Name: disodium (3Z)-3-[[4-[(3-oxido-3-oxopropyl)carbamoyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate | CAS Registry Number: 82101-18-6
Synonyms: Colazal, Balsalazide sodium, BALSALAZIDE, BX 661A, CID6504526, Benzoic acid, 5-((4-(((2-carboxyethyl)amino)carbonyl)phenyl)azo)-2-hydroxy-, disodium salt, Disodium 5-((4-(((2-carboxyethyl)amino)carbonyl)phenyl)azo)-2-hydroxybenzoate, 213594-60-6, Benzoic acid, 5-((1E)-(4-(((2-carboxyethyl)amino)carbonyl)phenyl)azo)-2-hydroxy-, disodium salt

Molecular Formula: C17H13N3Na2O6Molecular Weight: 401.281160 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: GNDOBTSWAIDUCE-OVVGNOJWSA-L

• Carbidopa
IUPAC Name: (2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid | CAS Registry Number: 28860-95-9
Synonyms: carbidopa, N-Aminomethyldopa, Carbidopa anhydrous, alpha-Methyldopahydrazine, Carbidopum [INN-Latin], Carbidopa Monohydrate, S-(-)-Carbidopa, Carbidopa (anhydrous), Hadrazino-alpha-methyldopa, Tocris-0455, L-alpha-Methyldopahydrazine, Carbidopa, (S)-Isomer, S(-)-CARBIDOPA, CCRIS 5093, C126_SIGMA, Lopac0_000382, MLS000069628, C1335_SIGMA, S-(−)-Carbidopa, EINECS 249-271-9

Molecular Formula: C10H14N2O4Molecular Weight: 226.229160 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 6

InChIKey: TZFNLOMSOLWIDK-JTQLQIEISA-N

• Chlorothiazide
IUPAC Name: 6-chloro-1,1-dioxo-4H-benzo[e][1,2,4]thiadiazine-7-sulfonamide | CAS Registry Number: 58-94-6
Synonyms: chlorothiazide, Diuril, Chlorothiazid, Chlortiazid, Chlotride, Chlorthiazide, Chlorosal, Chlorurit, Saluretil, Warduzide, Clotride, Diuresal, Diurilix, Thiazide, Alurene, Diurite, Diutrid, Salisan, Salunil, Saluric

Molecular Formula: C7H6ClN3O4S2Molecular Weight: 295.723240 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: JBMKAUGHUNFTOL-UHFFFAOYSA-N

• Chlorphenesin
IUPAC Name: 3-(4-chlorophenoxy)propane-1,2-diol | CAS Registry Number: 104-29-0
Synonyms: chlorphenesin, Chlorophenesin, Adermykon, Gecophen, Demykon, Mycil, 2-Chlorphenesin, p-Chlorophenyl, alpha-Glyceryl ether, p-Chlorophenyl glyceryl ether, Clorfenesina [INN-Spanish], Chlorphenesine [INN-French], Chlorphenesinum [INN-Latin], Maybridge1_000170, Chlorphenesin [INN:BAN], WLN: Q1YQ1OR DG, C9H11ClO3, MixCom1_000324, Oprea1_755443, 1,2-Propanediol, 3-(4-chlorophenoxy)-

Molecular Formula: C9H11ClO3Molecular Weight: 202.634840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: MXOAEAUPQDYUQM-UHFFFAOYSA-N

• Clonixine Lysinate
IUPAC Name: 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid | CAS Registry Number: 17737-65-4
Synonyms: Chlonixin, Clonixic acid, Deltar, CLONIXIN, Clonixine, Clonixin [USAN:INN], Clonixine [INN-French], Clonixinum [INN-Latin], Clonixino [INN-Spanish], Sch 10304, Clonixin (USAN/INN), C13H11ClN2O2, MLS001240214, 2-(3-Chloro-o-toluidino)nicotinic acid, Sch-10304, EINECS 241-730-1, NSC335505, 2-(3-Chloro-2-methylanilino)nicotinic acid, AIDS129188, Nicotinic acid, 2-(3-chloro-o-toluidino)-

Molecular Formula: C13H11ClN2O2Molecular Weight: 262.691640 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: CLOMYZFHNHFSIQ-UHFFFAOYSA-N

• Diethyl 5-Bromopyridine-2,3-Dicarboxylate
IUPAC Name: diethyl 5-bromopyridine-2,3-dicarboxylate

Molecular Formula: C11H12BrNO4Molecular Weight: 302.121280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: QEFMDJYUECXRAE-UHFFFAOYSA-N

• Docetaxel
Synonyms: docetaxel, Taxotere, Docetaxol, Docetaxel anhydrous, nchembio853-comp8, Docetaxel, Trihydrate, nchembio.2007.34-comp7, 01885_FLUKA, XRP-6976L, ANX-514, SDP-014, DB01248, NSC-628503, RP-56976, SL-00678, C11231, TXL, (2alpha,5beta,7beta,10beta,13alpha)-4-(acetyloxy)-13-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl (aR,bS)-b-[[(1,1-dimethylethoxy)carbonyl]amino]-a-hydroxybenzenepropanoate

Molecular Formula: C43H53NO14Molecular Weight: 807.879220 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 14

InChIKey: ZDZOTLJHXYCWBA-VCVYQWHSSA-N

• Doxercalciferol
IUPAC Name: (1S,3S,4E)-4-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-6-methylidenecyclohexane-1,3-diol | CAS Registry Number: 54573-75-0
Synonyms: Hectorol, doxacalciferol, 1alpha-OHD2, 1-Hydroxyergocalciferol, 1alpha(OH)2D2, 1alpha-hydroxyvitamin D2, 1-alpha-Hydroxyvitamin D2, 1alpha-Hydroxyergocalciferol, 1 alpha-hydroxyergocalciferol, TSA 840, BRN 4716774, Draxis brand of 1 alpha-hydroxyergocalciferol, Bone Care brand of 1 alpha-hydroxyergocalciferol, C042533, 9,10-Secoergosta-5,7,10(19),22-tetraene-1,3-diol, (1-alpha,3-beta,5Z,7E,22E)-, 125285-48-5, 87649-67-0

Molecular Formula: C28H44O2Molecular Weight: 412.647760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: DAQLPCKTVQWADC-MEVDWTRGSA-N

• Dyphylline
IUPAC Name: 7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione | CAS Registry Number: 479-18-5
Synonyms: dyphylline, Diprophylline, Diphyllin, Diprofilline, Diprophyllin, Dipropylline, Diprofillin, Lufyllin, Aristophyllin, Neostenovasan, Neutrafillina, Neutraphyllin, Neutraphylline, Neutroxantina, Protheophylline, Silbephylline, Synthophylline, Asthmolysin, Astrophyllin, Glyphylline

Molecular Formula: C10H14N4O4Molecular Weight: 254.242560 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: KSCFJBIXMNOVSH-UHFFFAOYSA-N

• Ethyl-4(2-Phthalimido Ethoxy)Acetoacetate
IUPAC Name: ethyl 4-[2-(1,3-dioxoisoindol-2-yl)ethoxy]-3-oxobutanoate | CAS Registry Number: 88150-75-8
Synonyms: Ethyl 4-(2-phthalimidoethoxy)acetoacetate, ethyl 4-(2-(1,3-dioxoisoindolin-2-yl)ethoxy)-3-oxobutanoate, Ethyl4-[2-(1,3-Dioxo-1,3-Dihydro-2h-Isoindol-2-Yl)Ethoxyl]-3-Oxobutanoate, PubChem23397, SureCN4985915, CTK5F9434, ANW-62811, AKOS015916097, AC-5611, AG-H-55325, AK101639, KB-201774, A10490, I14-54317, Butanoic acid,4-[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethoxy]-3-oxo-, ethyl ester, ethyl 4-[2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethoxyl]-3-oxobutanoate, 4-(2-Phthalimidoethoxy)acetoaceticacid ethyl ester; 4-[2-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)ethoxy]-3-oxobutanoicacid ethyl ester; Ethyl 4-(2-phthalimidoethoxy)acetoacetate

Molecular Formula: C16H17NO6Molecular Weight: 319.309280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: RIGKLAOKQFKWNN-UHFFFAOYSA-N

• Fine Chemical Intermediates
• Fine Chemicals
• Fludarabine
IUPAC Name: [(2R,3S,4S,5R)-5-(6-amino-2-fluoropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate | CAS Registry Number: 75607-67-9
Synonyms: fludara, fludarabine phosphate, Fludura, Beneflur, FAMP, FaraAMP, fluoro-ara-AMP, Fludarabine monophosphate, 2-Fluoro-ARA AMP, Fludara (TN), 2-Fluoro-ara-AMP, F-ara-AMP, Ambap1079, Fludarabine 5'-monophosphate, 2-F-ara-AMP, C10H13FN5O7P, Fludarabine phosphate [USAN:BAN], NSC-312887, Fludarabine phosphate (JAN/USP), SHT-586

Molecular Formula: C10H13FN5O7PMolecular Weight: 365.211684 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 13

InChIKey: GIUYCYHIANZCFB-FJFJXFQQSA-N

• Ibuprofen
IUPAC Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid | CAS Registry Number: 15687-27-1
Synonyms: ibuprofen, Motrin, Brufen, Andran, Liptan, Nuprin, Advil, Butylenin, Ibuprocin, Anflagen, Buburone, Ibumetin, Medipren, Nobfelon, Lamidon, Pantrop, Rebugen, Dolgit, Ebufac, Rufen

Molecular Formula: C13H18O2Molecular Weight: 206.280820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HEFNNWSXXWATRW-UHFFFAOYSA-N

• Lodine
IUPAC Name: 2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid | CAS Registry Number: 41340-25-4
Synonyms: etodolac, Etodolic acid, Ultradol, Ramodar, Lodine XL, Osteluc, Edolan, Hypen, Acid, Etodolic, Lodine SR, Prestwick_209, Lodine (TN), Ambap772, Etodolacum [INN-Latin], Etodolaco [INN-Spanish], Spectrum_001244, Etodolac, (S)-Isomer, Etodolac, (-)-Isomer, Prestwick0_000231, Prestwick1_000231

Molecular Formula: C17H21NO3Molecular Weight: 287.353540 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: NNYBQONXHNTVIJ-UHFFFAOYSA-N

• Lovastatin
IUPAC Name: [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate | CAS Registry Number: 75330-75-5
Synonyms: lovastatin, Mevacor, mevinolin, Mevinacor, Lovalord, Monacolin K, Nergadan, Altocor, Lovalip, Artein, Hipovastin, Lovasterol, Altoprev, Cholestra, Closterol, Lestatin, Lipofren, Lovastin, Tecnolip, Teroltrat

Molecular Formula: C24H36O5Molecular Weight: 404.539640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: PCZOHLXUXFIOCF-BXMDZJJMSA-N

• M-Bromobenzotrifluoride
IUPAC Name: 1-bromo-3-(trifluoromethyl)benzene | CAS Registry Number: 401-78-5
Synonyms: 3-Bromobenzotrifluoride, m-Bromobenzotrifluoride, 3-Bromobenzyltrifluoride, 3-Brombenzotrifluorid, 3-Bromotrifluoromethylbenzene, WLN: FXFFR CE, m-(Trifluoromethyl)bromobenzene, m-Bromo(trifluoromethyl)benzene, 3-(Trifluoromethyl)bromobenzene, 1-Bromo-3-(trifluoromethyl)benzene, 3-Brombenzotrifluorid [Czech], m-(Trifluoromethyl)phenyl bromide, 3-(Trifluoromethyl)phenyl bromide, Benzene, 1-bromo-3-(trifluoromethyl)-, B59004_ALDRICH, NSC 9468, 16410_FLUKA, EINECS 206-932-6, NSC9468, 1-Bromo-3-trifluoromethyl-benzene

Molecular Formula: C7H4BrF3Molecular Weight: 225.005870 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: NNMBNYHMJRJUBC-UHFFFAOYSA-N

• m-Chloro Propiophenone
IUPAC Name: 1-(3-chlorophenyl)propan-1-one | CAS Registry Number: 34841-35-5
Synonyms: 3'-Chloropropiophenone, m-Chloropropiophenone, 248193_ALDRICH, EINECS 252-242-3, 1-Propanone, 1-(3-chlorophenyl)-, ZINC00407109, ST5405393, TL8002590

Molecular Formula: C9H9ClOMolecular Weight: 168.620160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: PQWGFUFROKIJBO-UHFFFAOYSA-N

• Methyl 2-fluorobenzoate
IUPAC Name: methyl 2-chlorobenzoate | CAS Registry Number: 610-96-8
Synonyms: Methyl o-chlorobenzoate, METHYL 2-CHLOROBENZOATE, Benzoic acid, 2-chloro-, methyl ester, 465194_ALDRICH, Benzoic acid, o-chloro-, methyl ester, NSC7320, NSC 7320, EINECS 210-242-0, ZINC00167035, AI3-23031, ST5406088, Benzoic acid, o-chloro-, methyl ester (8CI), InChI=1/C8H7ClO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,1H

Molecular Formula: C8H7ClO2Molecular Weight: 170.592980 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: JAVRNIFMYIJXIE-UHFFFAOYSA-N

• Methyl Dopa
IUPAC Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid | CAS Registry Number: 555-30-6
Synonyms: methyldopa, Alphamethyldopa, Presolisin, Baypresol, Hyperpax, Sedometil, Aldomet, Medomet, Alpha medopa, Methyl dopa, Dopamethyperpax, Methoplain, Aldometil, Dopergit, Grospisk, Medopren, Presinol, Sembrina, Aldomin, Becanta

Molecular Formula: C10H13NO4Molecular Weight: 211.214520 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: CJCSPKMFHVPWAR-JTQLQIEISA-N

• Methyl vinyl ether-maleic anhydride copolymer
IUPAC Name: furan-2,5-dione; methoxyethene | CAS Registry Number: 9011-16-9
Synonyms: Viscofas, Gantrez, Gantrez AN, PVM/MA Copolymer, Gantrez 39, Gantrez 149, Gantrez 169, Gantrez 903, Gantrez S 95, Gantrez AN 119, Gantrez AN 139, Gantrez AN 149, Gantrez AN 169, Gantrez AN 179, Gantrez AN-1195, Viscofas X 100000, Gantrez AN-119, Gantrez AN-139, Gantrez AN-149, NSC 79367

Molecular Formula: C7H8O4Molecular Weight: 156.136020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: UPBDXRPQPOWRKR-UHFFFAOYSA-N

• Milbemycin oxime
Synonyms: Milbemite, Trifexis, Milbemycin, oxime, Interceptor flavor tabs, Milbemycin A, 5-oxime, UNII-0502PUN0GT, CGA-179246

Molecular Formula: C63H88N2O14Molecular Weight: 1097.377820 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 16

InChIKey: CKVMAPHTVCTEMM-ALPQRHTBSA-N

• Mycophenolate Mofetil
IUPAC Name: 2-morpholin-4-ylethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate | CAS Registry Number: 128794-94-5
Synonyms: mycophenolate mofetil, CellCept, Munoloc, Cellcept (TN), Mycophenylate mofetil, Ambap3904, ME-MPA, RS 61443, C23H31NO7, HSDB 7436, AIDS059828, Mycophenolate mofetil (JAN/USAN), RS-61443, Mycophenolic acid morpholinoethyl ester, RS-61443;MMF CellCept(TM), AIDS-059828, NSC724229, DB00688, NCGC00159459-02, NCGC00159459-03

Molecular Formula: C23H31NO7Molecular Weight: 433.494740 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: RTGDFNSFWBGLEC-SYZQJQIISA-N

• N-nitro-S-methyl isothiourea
IUPAC Name: methyl N'-nitrocarbamimidothioate | CAS Registry Number: 2986-25-6
Synonyms: NSC47544

Molecular Formula: C2H5N3O2SMolecular Weight: 135.145000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: FLZZNZJENFNFOJ-UHFFFAOYSA-N

• o-Bromofluorobenzene
IUPAC Name: 1-bromo-2-fluorobenzene | CAS Registry Number: 1072-85-1
Synonyms: o-Fluorobromobenzene, 1-Bromo-2-fluorobenzene, 2-Fluorobromobenzene, 2-Bromfluorbenzen, 2-Bromofluorobenzene, 1-Fluoro-2-bromobenzene, 1,2-Fluorobromobenzene, 2-Bromfluorbenzen [Czech], Benzene, 1-fluoro-2-bromo-, BENZENE, 1-BROMO-2-FLUORO-, WLN: FR BE, B66809_ALDRICH, EINECS 214-018-3, NSC 59696, NSC59696, LS-30352, ST5406323, InChI=1/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4

Molecular Formula: C6H4BrFMolecular Weight: 174.998363 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: IPWBFGUBXWMIPR-UHFFFAOYSA-N

• Oxybutynin
IUPAC Name: 4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate | CAS Registry Number: 5633-20-5
Synonyms: oxybutynin, Oxibutyninum, Oxytrol, Oxybutinin, Oxybutynin chloride, Ditropan, Pollakisu, Cystrin, Oxybutynin Base, Oxytrol (TN), Oxybutynin hydrochloride, Oxybutynine [INN-French], Oxybutyninum [INN-Latin], Oxibutinina [INN-Spanish], Oxybutynin (USAN/INN), Prestwick0_000287, Prestwick1_000287, Prestwick2_000287, Prestwick3_000287, CCRIS 1923

Molecular Formula: C22H31NO3Molecular Weight: 357.486440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: XIQVNETUBQGFHX-UHFFFAOYSA-N

• P-Chlorophenylacetic Acid
IUPAC Name: 2-(4-chlorophenyl)acetic acid | CAS Registry Number: 1878-66-6
Synonyms: 4-Chlorophenylacetic acid, (4-Chlorophenyl)acetic acid, 4-Chlorobenzeneacetic acid, (p-Chlorophenyl)acetic acid, Benzeneacetic acid, 4-chloro-, Acetic acid, (p-chlorophenyl)-, 4-Chlorophenyl acetate, P-CHLOROPHENYLACETIC ACID, 2-(p-Chlorophenyl)acetic acid, 4-Chlorophenyl acetic acid, 4-CHLOROPHENYLACETATE, (p-Chloro-phenyl)acetic acid, 139262_ALDRICH, CHEBI:30749, EINECS 217-521-6, NSC 14285, AIDS017634, AIDS-017634, NSC14285, BRN 1072816

Molecular Formula: C8H7ClO2Molecular Weight: 170.592980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CDPKJZJVTHSESZ-UHFFFAOYSA-N

• P-Hydroxy Valerophenone
IUPAC Name: 1-(4-hydroxyphenyl)pentan-1-one | CAS Registry Number: 2589-71-1
Synonyms: p-Valerylphenol, 4-Valerylphenol, p-Hydroxyvalerophenone, 4'-Hydroxyvalerophenone, Valerophenone, 4'-hydroxy-, ChemDiv3_014404, 1-Pentanone, 1-(4-hydroxyphenyl)-, MLS000522198, 245143_ALDRICH, NSC49186, NSC49321, EINECS 219-978-7, NSC 49186, NSC 49321, ZINC01681257, IDI1_030202, SMR000132606, AI3-11694, ST5405539, EU-0033275

Molecular Formula: C11H14O2Molecular Weight: 178.227660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZKCJJGOOPOIZTE-UHFFFAOYSA-N

• p-Phenylbenzoic acid
IUPAC Name: 4-phenylbenzoic acid | CAS Registry Number: 92-92-2
Synonyms: 4-Phenylbenzoic acid, 4-Carboxybiphenyl, 4-Biphenylcarboxylic acid, Biphenyl-4-carboxylic acid, Para phenyl benzoic acid, 4-Diphenylcarboxylic acid, 4-phenyl-benzoic acid, 4-CARBOXYDIPHENYL, Diphenyl-4-carboxylic acid, 4-Carboxy-(1,1'-biphenyl), B34729_ALDRICH, CBDivE_013344, 4-Carboxy-1,1'-biphenyl), 14421_FLUKA, EINECS 202-203-1, (1,1'-Biphenyl)-4-carboxylic acid, 4-phenylbenzoic acid, sodium salt, NSC 23040, 4PND-0-0, C13H10O2

Molecular Formula: C13H10O2Molecular Weight: 198.217300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NNJMFJSKMRYHSR-UHFFFAOYSA-N

• Pharmaceutic Intermediates
• Pseudoephedrine
IUPAC Name: (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol | CAS Registry Number: 90-82-4
Synonyms: Isoephedrine, trans-Ephedrine, PSEUDOEPHEDRINE, Sudafed, d-Pseudoephedrine, d-Isoephedrine, Psi-ephedrine, Psi-ephedrin, d-psi-Ephedrine, Besan, (+)-Pseudoephedrine, L(+)-psi-Ephedrine, (+)-threo-Ephedrine, (+)-psi-Ephedrine, L-(+)-Pseudoephedrine, Pseudoephedrine (D), ()-psi-Ephedrine, ()-Pseudoephedrine, ( )-Pseudoephedrine, Pseudoephedrine, (+)-

Molecular Formula: C10H15NOMolecular Weight: 165.232200 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: KWGRBVOPPLSCSI-WCBMZHEXSA-N

• Rapamycin
Synonyms: rapamycin, Sirolimus, Rapamune, 1fkb, 1pbk, LCP-Siro, (-)-Rapamycin, nchembio.79-comp1, nchembio762-comp1, nchembio883-comp3, nchembio.100-comp4, Sirolimus (RAPAMUNE), (-)-Rapamycin;Rapamune, Antibiotic AY 22989, BiomolKI2_000084, nchembio.2007.42-comp2, Sirolimus [USAN:BAN:INN], CCRIS 9024, R0395_SIAL, SILA 9268A

Molecular Formula: C51H79NO13Molecular Weight: 914.171860 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 13

InChIKey: QFJCIRLUMZQUOT-HPLJOQBZSA-N

• Sodium Valproate
IUPAC Name: sodium 2-propylpentanoate | CAS Registry Number: 1069-66-5
Synonyms: Sodium valproate, Valproate sodium, Depakene, Epilim, Convulex, Eurekene, Labazene, Orfiril, Valerin, Natrium valproat, Selenica, Sodium 2-propylpentanoate, Valproic acid sodium salt, Dipropylacetate sodium, Sodium dipropylacetate, Depakene (TN), Selenica (TN), Sodium bispropylacetate, Valproic acid sodium, Valproinsaeure, natrium

Molecular Formula: C8H15NaO2Molecular Weight: 166.193270 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: AEQFSUDEHCCHBT-UHFFFAOYSA-M

• Sulindac
IUPAC Name: 2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetic acid | CAS Registry Number: 38194-50-2
Synonyms: sulindac, Clinoril, Arthrocine, Arthrobid, Klinoril, Mobilin, Copal, Sulindal, Chibret, Kenalin, Copals, Aclin, Sulindac sulfoxide, Copal resin, Resin copal, Gum copal, Novo Sundac, Novo-Sundac, Nu Sulindac, Nu-Sulindac

Molecular Formula: C20H17FO3SMolecular Weight: 356.410583 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: MLKXDPUZXIRXEP-MFOYZWKCSA-N

• Temozolomide
IUPAC Name: 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide | CAS Registry Number: 85622-93-1
Synonyms: temozolomide, Methazolastone, Temodal, Temodar, Temozolamide, Temozolomidum [Latin], Temozolodida [Spanish], Temodal (TN), Temozolomide [BAN:INN], Temozolomide [INN:BAN], Essex brand of temozolomide, CCRG 81045, CCRG-81045, Sch 52365, MLS000759447, MLS001424028, Schering brand of temozolomide, C6H6N6O2, CCRIS 8996, Temozolomide (JAN/USAN/INN)

Molecular Formula: C6H6N6O2Molecular Weight: 194.150840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: BPEGJWRSRHCHSN-UHFFFAOYSA-N

• Valerophenone
IUPAC Name: 1-phenylpentan-1-one | CAS Registry Number: 1009-14-9
Synonyms: Butyl phenyl ketone, Pentanophenone, 1-Phenyl-1-pentanone, 1-Pentanone, 1-phenyl-, 1-phenylpentan-1-one, V659_ALDRICH, CHEBI:36812, NSC58959, EINECS 213-767-3, NSC 58959, ZINC01589684, AI3-09309, ST5406237

Molecular Formula: C11H14OMolecular Weight: 162.228260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: XKGLSKVNOSHTAD-UHFFFAOYSA-N

• Venlafaxine
IUPAC Name: 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol | CAS Registry Number: 93413-69-5
Synonyms: venlafaxine, Elafax, VenlafaxineXR, Venlafaxine ER, Venlafaxine [INN:BAN], Venlafaxinum [INN-Latin], venlafaxine (Effexor), Venlafaxina [INN-Spanish], Spectrum_001671, SpecPlus_000842, Venlafaxine hydrochloride, Venlafaxine [BAN:INN], Spectrum2_000542, Spectrum3_000989, Spectrum4_001115, Spectrum5_001516, BSPBio_002657, KBioGR_001590, KBioSS_002151, DivK1c_006938

Molecular Formula: C17H27NO2Molecular Weight: 277.401780 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: PNVNVHUZROJLTJ-UHFFFAOYSA-N

• Vinorelbine Base
Synonyms: vinorelbine, Navelbine, Eunades, ANX-530, SDP-012, KW-2307, NCGC00165966-02, methyl (2b,3b,4b,5a,12b,19a)-4-(acetyloxy)-15-[(6R,8S)-4-ethyl-8-(methoxycarbonyl)-1,3,6,7,8,9-hexahydro-2,6-methanoazecino[4,3-b]indol-8-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate, NVB

Molecular Formula: C45H54N4O8Molecular Weight: 778.932260 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 12

InChIKey: GBABOYUKABKIAF-IELIFDKJSA-N

• 1,2-Octanediol
IUPAC Name: octane-1,2-diol | CAS Registry Number: 1117-86-8
Synonyms: 1,2-Dihydroxyoctane, 1,2-OCTANEDIOL, 1,2-Octylene glycol, octane-1,2-diol, NCIOpen2_000498, 213705_ALDRICH, CHEBI:34056, AIDS017556, AIDS-017556, NSC71546, EINECS 214-254-7, NSC 71546, AI3-13058, C14273, 87720-89-6

Molecular Formula: C8H18O2Molecular Weight: 146.227320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: AEIJTFQOBWATKX-UHFFFAOYSA-N

• 4-Fluoro-alpha-(2-methyl-1-oxopropyl)-gamma-oxo-N,beta-diphenylbenzenebutaneamide
IUPAC Name: 2-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-phenylpentanamide | CAS Registry Number: 125971-96-2
Synonyms: 2[2-(4-Fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-pentanoic acid phenylamide, 2-(2-(4-fluorophenyl)-2-oxo-1-phenylethyl)-4-methyl-3-oxo-N-phenylpentanamide, 4-Fluoro-Alpha-(2-Methyl-1-Oxopropyl)-Gamma-Oxo-N,Beta-Diphenylbenzene Butaneamide, 2-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-phenylpentanamide, 4-Fluoro-alpha-(2-methyl-1-oxopropyl)-gamma-oxo-N,bata-diphenylbenzene butaneamide, ATORVASTATIN M4, PubChem19818, ACMC-1C6GE, AGN-PC-00GCEO, CTK8B6008, MolPort-019-918-530, ANW-51931, ATORVASTATIN INTERMEDIATE (II), AKOS015840719, AM90284, CL23799, MCULE-1452311956, YF10013, AK-25339, BR-25339

Molecular Formula: C26H24FNO3Molecular Weight: 417.472063 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: SNPBHOICIJUUFB-UHFFFAOYSA-N

• 7-Hydroxy-3,4-Dihydrocarbostyril
IUPAC Name: 7-hydroxy-3,4-dihydro-1H-quinolin-2-one | CAS Registry Number: 22246-18-0
Synonyms: 3,4-Dihydro-7-hydroxy-2(1H)-quinolinone, 7-hydroxy-3,4-dihydro-1H-quinolin-2-one, 7-Hydroxy-3,4-dihydrocarbostyril, 7-Hydroxy-3,4-dihydro-2(1H)-quinolinone, 7-Hydroxy-3,4-dihydro carbostyril, 7-Hydroxy-3,4-dihydro-quinolin-2-one, 7-hydroxy-3,4-dihydroquinolin-2(1H)-one, 3,4-Dihydro-7-hydroxycarbostyril, STK617335, AG-E-62602, 7-Hydroxy-1,2,3,4-tetrahydro-2-quinolinone, 7-hydroxy-1,2,3,4-tetrahydroquinolin-2-one, 7-Hydroxy-2-oxo-1,2,3,4-tetrahydroquinoline, 2(1H)-QUINOLINONE, 3,4-DIHYDRO-7-HYDROXY-, 7-Hydroxy-3,4-dihydroquinolin-2[1H]-one, zlchem 327, PubChem14908, SureCN8751, AGN-PC-00AXYB, AC1MD98D

Molecular Formula: C9H9NO2Molecular Weight: 163.173260 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: LKLSFDWYIBUGNT-UHFFFAOYSA-N

• 3-(Trifluoromethoxy)fluorobenzene
IUPAC Name: 1-fluoro-3-(trifluoromethoxy)benzene | CAS Registry Number: 1077-01-6
Synonyms: 1-fluoro-3-(trifluoromethoxy)benzene, alpha,alpha,alpha,3-Tetrafluoroanisole, 3-fluorotrifluoromethoxybenzene, PubChem4618, AC1MCRLM, ACMC-1BQLB, SureCN254534, KSC494M6R, m-fluoro trifluoromethoxy benzene, CTK3J4668, trifluoro(3-fluorophenoxy)methane, MolPort-001-778-390, 3-(Trifluoromethoxy) fluorobenzene, ACT12780, ANW-15839, M-FLUOROTRIFLUOROMETHOXYBENZENE, SBB089619, ZINC02560217, AKOS006230387, AG-D-23613

Molecular Formula: C7H4F4OMolecular Weight: 180.099673 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: AUKDFDQPJWJEDH-UHFFFAOYSA-N

• 2-Amino-5-nitrobenzotrifluoride
IUPAC Name: 4-nitro-2-(trifluoromethyl)aniline | CAS Registry Number: 121-01-7
Synonyms: 196576_ALDRICH, 4-Nitro-2-(trifluoromethyl)aniline, 4-Nitro-a,a,a-trifluoro-o-toluidine, ZINC03861425, CID67128, EINECS 204-443-2, 4-Nitro-alpha,alpha,alpha-trifluoro-o-toluidine, ST5308325, TL8000553, T0517-6175, InChI=1/C7H5F3N2O2/c8-7(9,10)5-3-4(12(13)14)1-2-6(5)11/h1-3H,11H

Molecular Formula: C7H5F3N2O2Molecular Weight: 206.122010 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: HOTZLWVITTVZGY-UHFFFAOYSA-N

• (4R,6R)-t-Butyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate
IUPAC Name: tert-butyl 2-[(4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate | CAS Registry Number: 125971-94-0
Synonyms: 539015_ALDRICH, ZINC04284040, ST5405960, TL8000705, tert-Butyl (4R,3R)-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate, (4R,Cis)-1,1-dimethylethyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate

Molecular Formula: C14H23NO4Molecular Weight: 269.336720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: DPNRMEJBKMQHMC-GHMZBOCLSA-N

• (4R,6R)-t-Butyl-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate
IUPAC Name: 2-[(4R,6R)-2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-dioxan-4-yl]ethylazanium | CAS Registry Number: 125995-13-3
Synonyms: ZINC04284042, CID7168028

Molecular Formula: C14H28NO4+Molecular Weight: 274.376420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HWSHVKNLMBMKSR-GHMZBOCLSA-O

• (1H)-7-(4'-Bromobutoxy)-3,4-dihydro-2-quinolinone
IUPAC Name: 7-(4-bromobutoxy)-3,4-dihydro-1H-quinolin-2-one | CAS Registry Number: 129722-34-5
Synonyms: 7-(4-Bromobutoxy)-3,4-dihydro-2(1H)-quinolinone, 3,4-Dihydro-7-(4-bromobutoxy)-2(1H)-quinolinone, 7-(4-bromobutoxy)-3,4-dihydro-1H-quinolin-2-one, 7-(4-Bromo-butoxy)-3,4-dihydro-1H-quinolin-2-one, 2(1H)-Quinolinone, 7-(4-bromobutoxy)-3,4-dihydro-, AG-D-60351, 7-(4-bromobutoxy)-3,4-dihydroquinolin-2(1H)-one, PubChem6002, SureCN8513, AGN-PC-0CTILM, ACMC-209bh8, QUI081, Jsp001809, CTK4B6379, MolPort-003-845-324, BB_SC-4613, ANW-19146, BBL011057, STK802231, ZINC15919788

Molecular Formula: C13H16BrNO2Molecular Weight: 298.175640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: URHLNHVYMNBPEO-UHFFFAOYSA-N


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