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Profile: Santa Cruz Biotechnology, Inc. specializes in the manufacture & supply of antibodies and support products. We deal with primary antibodies, secondary antibodies, control antibodies, phospho-specific antibodies and flow cytometry.

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• N-(6-Aminohexyl)-1-naphthalenesulfonamide hydrochloride
IUPAC Name: N-(6-aminohexyl)naphthalene-1-sulfonamide hydrochloride | CAS Registry Number: 61714-25-8
Synonyms: W-5, Hydrochloride, IN1421, N-(6-Aminohexyl)-1-naphthalenesulfonamide, HCl, N-(6-Aminohexyl)-1-naphthalenesulfonamide monohydrochlorde, 1-Naphthalenesulfonamide, N-(6-aminohexyl)-, monohydrochlorde, 79458-81-4, W-5

Molecular Formula: C16H23ClN2O2SMolecular Weight: 342.884020 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: HOCSVIGHWPLMFC-UHFFFAOYSA-N

• n-(6-Aminohexyl)-5-chloro-1-naphthalenesulfonamide hydrochloride
IUPAC Name: N-(6-aminohexyl)-5-chloronaphthalene-1-sulfonamide hydrochloride | CAS Registry Number: 61714-27-0
Synonyms: W-7, Hydrochloride, W-7 HYDROCHLORIDE, W 7, monohydrochloride, C16H21ClN2O2S.HCl, MLS000859986, A3281_SIGMA, SPECTRUM1503627, IN1420, NSC683545, NCGC00093583-01, NCGC00093583-02, NCGC00178278-01, NCGC00178278-02, SMR000326845, LS-176199, EU-0100075, calmodulin related enzymes [PNAS 78: 4354 (1981)], N-(6-Aminohexyl)-5-chloro-1-naphthalenesulfonamide hydrochloride, N-(6-Aminohexyl)-5-chloro-1-naphthalenesulfonamide, HCl, N-(6-Aminohexyl)-5-chloro-1-naphthalenesulfonamide monohydrochloride

Molecular Formula: C16H22Cl2N2O2SMolecular Weight: 377.329080 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: OMMOSRLIFSCDBL-UHFFFAOYSA-N

• N-[(2S)-((2R)-2-Amino-3-mercaptopropylamino)-3-methylbutyl]-L-phenylalanyl-L-methionine
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropyl]amino]-3-methylbutyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid | CAS Registry Number: 149759-96-6
Synonyms: CBiol_001875, BSPBio_001466, KBioGR_000186, KBioSS_000186, B2559_SIGMA, KBio2_000186, KBio2_002754, KBio2_005322, KBio3_000371, KBio3_000372, CHEBI:246811, MolPort-003-940-436, Bio1_000161, Bio1_000650, Bio1_001139, Bio2_000186, Bio2_000666, CID132887, B581, IDI1_033936

Molecular Formula: C22H38N4O3S2Molecular Weight: 470.692120 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 6

InChIKey: QISLMXIYRQCLIR-FUMNGEBKSA-N

• N-[2-(Methylamino)ethyl]-5-isoquinolinesulfonamide dihydrochloride
IUPAC Name: 2-(isoquinolin-5-ylsulfonylamino)ethyl-methylazanium | CAS Registry Number: 113276-94-1
Synonyms: ZINC02043206, AC1OCSTG, A803036, 2-(5-isoquinolinylsulfonylamino)ethyl-methylammonium, 2-(isoquinolin-5-ylsulfonylamino)ethyl-methylazanium, 2-(isoquinolin-5-ylsulfonylamino)ethyl-methyl-azanium

Molecular Formula: C12H16N3O2S+Molecular Weight: 266.339340 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: PJWUXKNZVMEPPH-UHFFFAOYSA-O

• N-[4-[[1-[2-(6-Methyl-2-Pyridinyl)Ethyl]-4-Piperidinyl]Carbonyl]Phenyl]Methanesulfonamide Dihydrochloride
IUPAC Name: N-[4-[1-[2-(6-methylpyridin-2-yl)ethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide | CAS Registry Number: 113558-89-7
Synonyms: Tocris-1808, BSPBio_001313, KBioGR_000033, KBioSS_000033, KBio2_000033, KBio2_002601, KBio2_005169, KBio3_000065, KBio3_000066, CID3185, CHEBI:252611, Bio1_000373, Bio1_000862, Bio1_001351, Bio2_000033, Bio2_000513, E-4031, IDI1_033783, NCGC00025301-01, NCGC00025301-02

Molecular Formula: C21H27N3O3SMolecular Weight: 401.522380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: SRUISGSHWFJION-UHFFFAOYSA-N

• N-[4-[[6-Methoxy-7-[3-(4-morpholinyl)propoxy]-4-quinazolinyl]amino]phenyl]benzamide
IUPAC Name: N-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]benzamide | CAS Registry Number: 331771-20-1
Synonyms: ZM-447439, ZM447439, N-[4-[[6-METHOXY-7-[3-(4-MORPHOLINYL)PROPOXY]-4-QUINAZOLINYL]AMINO]PHENYL]BENZAMIDE, ZM 447439, TCMDC-125873, AG-F-11633, ZM 447439, ZM447439, 331771-20-1, ZM447439, ZM-447439, S1103_Selleck, Kinome_3319, NCGC00159574-01, PubChem24158, cc-90, SureCN597105, UNII-RSN3P9776R, CHEMBL202721, CTK4H0102, BCPP000002, HMS3269E21, ABP000121

Molecular Formula: C29H31N5O4Molecular Weight: 513.587540 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: OGNYUTNQZVRGMN-UHFFFAOYSA-N

• N-Acetyl-S-Geranylgeranyl-L-Cysteine
IUPAC Name: 2-acetamido-3-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenylsulfanyl)propanoic acid | CAS Registry Number: 139332-94-8
Synonyms: AGGC, CID2067, Bio1_000541, N-Acetyl-S-geranylgeranyl-L-cysteine

Molecular Formula: C25H41NO3SMolecular Weight: 435.662940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: PKFBJSDMCRJYDC-UHFFFAOYSA-N

• N-DesmethylClozapine
IUPAC Name: 3-chloro-6-piperazin-1-yl-5H-benzo[c][1,5]benzodiazepine | CAS Registry Number: 6104-71-8
Synonyms: Norclozapine, N-Desmethylclozapine, Desmethylclozapine, Normethylclozapine, N-desmethyl-clozapine, Tocris-1007, D5676_SIGMA, AIDS085400, AIDS-085400, NCGC00024936-01, NCGC00024936-02, SL-00793, C058272, 8-Chloro-11-piperazin-1-yl-5H-dibenzo[b,e][1,4]diazepine, 8-Chloro-11-piperazinyl-5H-dibenzo[b,e][1,4]diazepine, 8-Chloro-11-(1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine, 8-Chloro-11-(1-piperazinyl)-5H-dibenzo[b,E][1,4]diazepine, 5H-Dibenzo(b,e)(1,4)diazepine, 8-chloro-11-(1-piperazinyl)-

Molecular Formula: C17H17ClN4Molecular Weight: 312.796680 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: HESZUPIXRNZIOI-UHFFFAOYSA-N

• N-Glycolylneuraminic acid
IUPAC Name: (2S,4S,5R,6R)-2,4-dihydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1S,2S)-1,2,3-trihydroxypropyl]oxane-2-carboxylate | CAS Registry Number: 1113-83-3
Synonyms: N-Glycolylneuraminate, N-Glycoloyl-neuraminate, CPD-273

Molecular Formula: C11H18NO10-Molecular Weight: 324.261320 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 10

InChIKey: FDJKUWYYUZCUJX-KVNVFURPSA-M

• N-methyl-d-aspartate
IUPAC Name: (2R)-2-(methylamino)butanedioic acid | CAS Registry Number: 6384-92-5
Synonyms: NMDA, N-methyl-D-aspartic acid, N-Methylaspartate, N-Methyl-D-aspartate, Methyl aspartic acid, N-Methyl aspartic acid, Spectrum_001456, Tocris-0114, Aspartic acid, N-methyl-, Spectrum2_001580, Spectrum3_001601, Spectrum4_000318, Spectrum5_001209, Lopac-M-3262, D-Aspartic acid, N-methyl-, (NMDA), Lopac0_000775, BSPBio_003201, C5H9NO4, KBioGR_000936

Molecular Formula: C5H9NO4Molecular Weight: 147.129260 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: HOKKHZGPKSLGJE-GSVOUGTGSA-N

• Nafamostat mesylate
IUPAC Name: (6-carbamimidoylnaphthalen-2-yl) 4-(diaminomethylideneamino)benzoate; methanesulfonic acid | CAS Registry Number: 82956-11-4
Synonyms: Futhan, Nafamstat, Ronastat, nafamostat mesilate, Nafamstat Mesilate, Ronastat (TN), Nafamostat mesilate (JAN), Nafamostat mesylate (USAN), FUT-175, CID5311180, D01670, 6-Amidino-2-naphthyl-4-guanidinobenzoate Dimethanesulfonate

Molecular Formula: C21H25N5O8S2Molecular Weight: 539.581900 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 13

InChIKey: SRXKIZXIRHMPFW-UHFFFAOYSA-N

• Nedaplatin
IUPAC Name: azanide; 2-hydroxyacetic acid; platinum(2+) | CAS Registry Number: 95734-82-0
Synonyms: Aqupla, Nedaplatin [INN], Aqupla (TN), CGDP-II, Nedaplatin (JAN/INN), C2H6N2O3Pt, cis-Diammine(glycolato)platinum, CCRIS 4088, cis-Diammine (glycolato)platinum, cis-Diammine(glycolato)platinum(II), NSC 375101D, cis-diammine(glycolato)platinum II, (Glycolato-O,O')diammineplatinum(II), NSC-375101D, (glycolato-O,O')diammineplatinum II, 254-S, NCGC00181152-01, LS-117704, C12862, cis-Diammine(glycolato-O(sup 1),O(sup 2))platinum

Molecular Formula: C2H8N2O3PtMolecular Weight: 303.174520 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: KLNFSAOEKUDMFA-UHFFFAOYSA-N

• NG-Nitro-L-arginine-methyl ester hydrochloride
IUPAC Name: methyl (2S)-2-amino-5-[[amino(nitramido)methylidene]amino]pentanoate hydrochloride | CAS Registry Number: 51298-62-5
Synonyms: LNAME hydrochloride, L-NAME hydrochloride, L-NAME, HCl, NG-NO2-L-Arg-OMe, Nomega-NO2-L-Arg-OMe, MLS001056504, MLS002153217, N5751_SIGMA, 72760_FLUKA, EINECS 257-116-1, CID135193, FR-0332, SMR000326681, LS-183873, Nitro-L-arginine methyl ester hydrochloride, EU-0100848, Nomega-Nitro-L-arginine methyl ester hydrochloride, Methyl N5-(imino(nitroamino)methyl)-L-ornithine monohydrochloride, NG-Nitro-L-arginine Methyl Ester, Hydrochloride

Molecular Formula: C7H16ClN5O4Molecular Weight: 269.686040 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: QBNXAGZYLSRPJK-JEDNCBNOSA-N

• Nicorandil
IUPAC Name: 2-(pyridine-3-carbonylamino)ethyl nitrate | CAS Registry Number: 65141-46-0
Synonyms: NICORANDIL, Adancor, Sigmart, Dancor, Ikorel, Sigmart (TN), 2-Nicotinamidoethyl nitrate, Nicorandil Merck Brand, Tocris-2147, 2-Nicotinamidethyl Nitrate, Nicorandilum [INN-Latin], Nicorandil Aventis Brand, Merck Brand of Nicorandil, 2-(Nicotinamido)ethyl nitrat, 2 Nicotinamidethyl Nitrate, 2 Nicotinamidoethyl Nitrate, Aventis Brand of Nicorandil, Nitrate, 2-Nicotinamidethyl, SG 75, SG-75

Molecular Formula: C8H9N3O4Molecular Weight: 211.174760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: LBHIOVVIQHSOQN-UHFFFAOYSA-N

• Nilotinib
IUPAC Name: 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide | CAS Registry Number: 641571-10-0
Synonyms: AMN107, AMN 107, CHEBI:52172, AMN-107, TL8004531, 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide, 4-Methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)-N-(5-(4-methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)phenyl)benzamide, 4-Methyl-3-(4-(3-pyridinyl)-2-pyrimidinyl)amino)-N-[5-(4-methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide, 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-N-[5-(4-methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide, Benzamide, 4-methyl-N-((3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-(4-(3-pyridinyl)-2-pyrimidinyl)amino)-, Benzamide, 4-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-(4-(3-pyridinyl)-2-pyrimidinyl)amino)-, benzamide, 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-, Benzamide, 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]- (9CI), NIL

Molecular Formula: C28H22F3N7OMolecular Weight: 529.515790 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 10

InChIKey: HHZIURLSWUIHRB-UHFFFAOYSA-N

• Nimesulide
IUPAC Name: N-[4-nitro-2-(phenoxy)phenyl]methanesulfonamide | CAS Registry Number: 51803-78-2
Synonyms: nimesulide, Mesulid, Aulin, Nimed, Antifloxil, Flogovital, Sulidene, Guaxan, Eskaflam, Orthobid, Redaflam, Aldoron, Nimedex, Nimesil, Nisulid, Nexen, Nise Gel, Prestwick_618, Ambap693, Nimesulide [BAN:INN]

Molecular Formula: C13H12N2O5SMolecular Weight: 308.309780 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: HYWYRSMBCFDLJT-UHFFFAOYSA-N

• Nimodipine
IUPAC Name: 5-O-(2-methoxyethyl) 3-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate | CAS Registry Number: 66085-59-4
Synonyms: nimodipine, Nimotop, Periplum, Admon, Remontal, Brainal, Kenesil, Calnit, Modus, Nimodipin Hexal, NimodipinISIS, Nimodipin ISIS, Nimodipin-ISIS, Nimodipino Bayvit, Nimotop(TM), nchembio.79-comp6, Nimodipinum [INN-Latin], Nimodipino [INN-Spanish], Spectrum_001880, SpecPlus_000716

Molecular Formula: C21H26N2O7Molecular Weight: 418.440340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: UIAGMCDKSXEBJQ-UHFFFAOYSA-N

• Nitrendipine
IUPAC Name: 3-O-ethyl 5-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate | CAS Registry Number: 39562-70-4
Synonyms: nitrendipine, Baypress, Bayotensin, Nidrel, Nitrendimerck, Baylotensin, Nitregamma, Nitrendepat, Nitrendidoc, Nitrendipin, Nitrepress, Tensogradal, Vastensium, Balminil, Baypresol, Jutapress, Nitrensal, Trendinol, Gericin, Niprina

Molecular Formula: C18H20N2O6Molecular Weight: 360.361200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: PVHUJELLJLJGLN-UHFFFAOYSA-N

• Nordihydroguaiaretic Acid
IUPAC Name: 4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol | CAS Registry Number: 500-38-9
Synonyms: Masoprocol, NORDIHYDROGUAIARETIC ACID, NDGA, Actinex, Dihydronorguaiaretic acid, nordihydroguaiaretate, Norhydroguaiaretic acid, Nordihydroguairaretic acid, nordihydroguaretic acid, nordihydroguiaretic acid, Norguaiaretic acid, dihydro-, Spectrum_001146, nordihydrogauiaretic acid, NDGA, Larrea divaricata, Dinorguaiaretic acid, dihydro-, Spectrum5_000735, Norguaiaretic acid, dihydro, CCRIS 1399, Oprea1_368609, KBioGR_002349

Molecular Formula: C18H22O4Molecular Weight: 302.364880 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 4

InChIKey: HCZKYJDFEPMADG-UHFFFAOYSA-N

• Octylonium bromide
IUPAC Name: diethyl-methyl-[2-[4-[(2-octoxybenzoyl)amino]benzoyl]oxyethyl]azanium bromide | CAS Registry Number: 26095-59-0
Synonyms: Octylonium, Spasmomen, Otilonium Bromide, Ottilonio bromuro [Italian], Otilonium bromide (INN), Otilonii bromidum [INN-Latin], SP63, Otilonium bromide [BAN:INN], Otilonium bromide [INN:BAN], C29H43N2O4.Br, Bromure d'otilonium [INN-French], Bromuro de otilonio [INN-Spanish], EINECS 247-457-4, LS-17432, D07083, Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, p-(o-(octyloxy)benzamido)benzoate, Diethyl(2-hydroxyethyl)methylammonium bromide p-(o-(octyloxy)benzamido)-benzoate, Diethyl(2-hydroxyethyl)methylammonium bromide p-(o-(octyloxy)benzamido)benzoate, Ethanaminium, N,N-diethyl-N-methyl-2-((4-((2-(octyloxy)benzoyl)amino)benzoyl)oxy)-, bromide, N-diethylmethylammoniummethyl-p-(2-(N-octyloxy)benzoyl)aminobenzoate bromide

Molecular Formula: C29H43BrN2O4Molecular Weight: 563.566720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: VWZPIJGXYWHBOW-UHFFFAOYSA-N

• Oleylethanolamide
IUPAC Name: (Z)-N-(2-hydroxyethyl)octadec-9-enamide | CAS Registry Number: 111-58-0
Synonyms: n-oleoylethanolamine, Oleamide MEA, oleoylethanolamide, N-oleoyl ethanolamine, Oleoyl monoethanolamide, N-oleoyl ethanolamide, nchembio.86-comp11, N-(2-Hydroxyethyl)oleamide, Tocris-1484, N-OEA, nchembio.129-comp19, N-(Hydroxyethyl)oleamide, Spectrum5_002037, Lopac-O-0383, N-(hydroxyethyl) oleamide, OLEIC MONOETHANOLAMIDE, Lopac0_000942, MLS002153155, Monoethanolamine oleic acid amide, O0383_SIGMA

Molecular Formula: C20H39NO2Molecular Weight: 325.529160 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: BOWVQLFMWHZBEF-KTKRTIGZSA-N

• Oligomycin A
IUPAC Name: (1S,4E,5'R,6R,6'R,7S,8R,10S,11S,12R,14S,15R,16S,18E,20E,22S,25R,27S,28R,29S)-22-ethyl-7,11,14,15-tetrahydroxy-6'-[(2S)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3,9,13-trione | CAS Registry Number: 579-13-5
Synonyms: oligomycin A, Oligomycin, OLIGOMYCIN (A shown), BSPBio_000988, BSPBio_003314, SPECTRUM1601001, BCBcMAP01_000052, EINECS 209-437-3, BRN 5702132, RP-32705, CID5281899, IDI1_000029, IDI1_002089, NCGC00163472-01, LS-98327, C11311, (1S,4E,5'R,6R,6'R,7S,8R,10S,11S,12R,14S,15R,16S,18E,20E,22S,25R,27S,28R,29S)-22-ethyl-7,11,14,15-tetrahydroxy-6'-[(2S)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethyl-3',4',5',6'-tetrahydro-3H,9H,13H-spiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-pyran]-3,9,13-trione, 1404-19-9

Molecular Formula: C45H74O11Molecular Weight: 791.062460 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 11

InChIKey: MNULEGDCPYONBU-WMBHJXFZSA-N

• Ondansetron HCL Dihydrate
IUPAC Name: 9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one | CAS Registry Number: 99614-02-5
Synonyms: ondansetron, Zophren, Zofran, Zudan, Zofran ODT, ondansetron (Zofran), Zofran ODT (TN), Prestwick0_001058, Prestwick1_001058, Prestwick2_001058, Prestwick3_001058, TimTec1_001750, Oprea1_435466, Oprea1_852372, BSPBio_001016, CBDivE_008994, Ondansetron, (+,-)-Isomer, Ondansetron (JAN/USP/INN), SPBio_002938, Ondansetron [USAN:INN:BAN]

Molecular Formula: C18H19N3OMolecular Weight: 293.362960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: FELGMEQIXOGIFQ-UHFFFAOYSA-N

• Ozagrel
IUPAC Name: (E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid | CAS Registry Number: 82571-53-7
Synonyms: ozagrel, Ozagrelum [Latin], Ozagrel [INN], Ozagrel (E), Prestwick2_000979, Prestwick3_000979, BSPBio_001017, BPBio1_001119, OKY 046, OKY-046, C13H12N2O2, 4-(1-imidazoylmethyl)cinnamic acid, (E)-p-(Imidazol-1-ylmethyl)cinnamic acid, CID5282440, NCGC00025195-02, LS-177692, TL8005457, AB00514722, 3-(4-(1H-imidazol-1-ylmethyl)phenyl)-2-propenoic acid, 2-Propenoic acid, 3-(4-(1H-imidazol-1-ylmethyl)phenyl)-, (E)-

Molecular Formula: C13H12N2O2Molecular Weight: 228.246580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: SHZKQBHERIJWAO-AATRIKPKSA-N

• Paclitaxel
Synonyms: paclitaxel, Yewtaxan, TAXOL, Plaxicel, Paxceed, Taxol A, Abraxane, Ebetaxel, Capxol, Paxene, Onxol, TaxAlbin, LipoPac, Genetaxyl, Nanotaxel, Paclical, Pacligel, Anzatax, Genaxol, Genexol

Molecular Formula: C47H51NO14Molecular Weight: 853.906140 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 14

InChIKey: RCINICONZNJXQF-MZXODVADSA-N

• Phosphoramidon disodium salt
IUPAC Name: disodium 3-(1H-indol-3-yl)-2-[[4-methyl-2-[[oxido-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphosphoryl]amino]pentanoyl]amino]propanoate | CAS Registry Number: 119942-99-3
Synonyms: phosphoramidon, N-[alpha-Rhamnopyranosyl- oxyhydroxyphosphinyl]-Leu-Trp

Molecular Formula: C23H32N3Na2O10PMolecular Weight: 587.467581 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 11

InChIKey: OQKHVXFOYFBMDJ-UHFFFAOYSA-L

• Piceatannol
IUPAC Name: 5-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,3-diol | CAS Registry Number: 10083-24-6
Synonyms: piceatannol, astringinin, piceatanol, Astringinine, 3-Hydroxyresveratol, E-Piceatannol, 3'-hydroxyresveratol, demethyl isorhapontigenin, BiomolKI_000023, 3,5,3',4'-Tetrahydroxystilbene, BiomolKI2_000031, RSVL-1, 3,3',4,5'-Stilbenetetrol, 3,3',4,5'-Tetrahydroxystilbene, Lopac0_000915, BSPBio_001120, MLS002153321, 3,3',4'5-Tetrahydroxystilbene, P0453_SIGMA, 3,3',4',5-tetrahydroxystilbene

Molecular Formula: C14H12O4Molecular Weight: 244.242680 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 4

InChIKey: CDRPUGZCRXZLFL-OWOJBTEDSA-N

• Picotamide
IUPAC Name: 4-methoxy-1-N,3-N-bis(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide | CAS Registry Number: 32828-81-2
Synonyms: picotamide, Plactidil, Plactidil (TN), Picotamide (BAN), Prestwick0_000119, Prestwick1_000119, Prestwick2_000119, Prestwick3_000119, Lopac-P-8477, Lopac0_001003, BSPBio_000138, P8477_SIGMA, SPBio_002077, BPBio1_000152, EINECS 251-245-7, CID4814, C21H20N4O3, BRN 0499268, NSC304384, G 137

Molecular Formula: C21H20N4O3Molecular Weight: 376.408500 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: KYWCWBXGRWWINE-UHFFFAOYSA-N

• Piroxicam
IUPAC Name: (3E)-3-[hydroxy-(pyridin-2-ylamino)methylidene]-2-methyl-1,1-dioxobenzo[e]thiazin-4-one | CAS Registry Number: 36322-90-4
Synonyms: piroxicam, Feldene, Piroftal, Pyroxycam, Roxicam, Felden, Feldene Fast, BAXO, Feldene Gel, Prestwick_573, Feldene (TN), Piroxicamum [INN-Latin], CCRIS 3719, SPECTRUM1500491, Piroxicam (JP15/USP/INN), Piroxicam [USAN:BAN:INN:JAN], P0847_SIAL, CHF 1251, C15H13N3O4S, EINECS 252-974-3

Molecular Formula: C15H13N3O4SMolecular Weight: 331.346420 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: LDJVNWFKNMYYNT-FYWRMAATSA-N

• Pizotifen Malate
Synonyms: Pizotifen malate, Sanomtgran, Mosegor, Litec malate, Pizotyline malate, Sandomigran malate, Sandomygran malate, BC 105 malate, Pizotifen hydrogen malate, Prestwick0_000992, Prestwick1_000992, Prestwick2_000992, Prestwick3_000992, BSPBio_001083, SPECTRUM1505003, SPBio_002974, BPBio1_001193, C19H21NS.C4H6O5, EINECS 225-970-4, MolPort-002-507-853

Molecular Formula: C23H27NO5SMolecular Weight: 429.529180 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: IWAWCPZVTXCFKD-UHFFFAOYSA-N

• Plicamycin
IUPAC Name: 2-[4-[4-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-3-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-6-[4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-8,9-dihydroxy-7-methyl-3,4-dihydro-2H-anthracen-1-one | CAS Registry Number: 18378-89-7
Synonyms: mithramycin a, plicamycin, Mitramycin, Mithracin, Aureolic acid, Aurelic acid, MITHRAMYCIN, Antibiotic LA 7017, Neuro_000012, NSC24559, CID230076, PA-144, NCGC00181147-01, NCI60_001964, A-2371, 1(2H)-Anthracenone, 6-[[2,6-dideoxy-3-O-(2,6-dideoxy-.beta.-D-arabino-hexo pyranosyl)-.beta.-D-arabino-hexopyranosyl]oxy]-2-[(O-2,6- dideoxy-3-C-methyl-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4) -O-2,6-dideoxy-.alpha.-D-lyxo-hexopyranosyl-(1.fwdarw.3) -2,6-dideoxy-.beta.-D-arabino-hexopyranosyl)oxy]-3-(3,4- dihydroxy-1-methoxy-2-oxopentyl)-3,4-dihydro-8,9-dihydroxy- 7-methyl-, [2S-[2.alpha.,3.beta.(1R*,3R*,4S*)]]-

Molecular Formula: C52H76O24Molecular Weight: 1085.145440 [g/mol]
H-Bond Donor: 11H-Bond Acceptor: 24

InChIKey: CFCUWKMKBJTWLW-UHFFFAOYSA-N

• Pravadoline
IUPAC Name: (4-methoxyphenyl)-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone | CAS Registry Number: 92623-83-1
Synonyms: Pravadolina, Pravadolinum, Pravadoline [INN], PRAVADOLINE MALEATE, Pravadolinum [INN-Latin], Pravadolina [INN-Spanish], Pravadoline maleate [USAN], UNII-2DH4X8278M, Win-48098, CHEBI:111603, Win-48098-6, CID56463, NCGC00160396-01, (4-Methoxy-phenyl)-[2-methyl-1-(2-morpholin-4-yl-ethyl)-1H-indol-3-yl]-methanone, Methanone, (4-methoxyphenyl)(2-methyl-1-(2-(4-morpholinyl)ethyl)-1H-indol-3-yl)-, (s-cis) -(4-Methoxy-phenyl)-[2-methyl-1-(2-morpholin-4-yl-ethyl)-1H-indol-3-yl]-methanone, 92623-84-2

Molecular Formula: C23H26N2O3Molecular Weight: 378.464140 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: MEUQWHZOUDZXHH-UHFFFAOYSA-N

• Proadifen Hydrochloride
IUPAC Name: 2-diethylaminoethyl 2,2-diphenylpentanoate hydrochloride | CAS Registry Number: 62-68-0
Synonyms: Proadifen hydrochloride, Propyladiphenin, proadifen, Proadifen HCl, Prestwick_124, Proafiden hydrochloride, SKF 525A, SKF-525A hydrochloride, SKF-525A, Hydrochloride, SK&F 525-A, MLS000859910, MLS002222169, SKF 525-A, P1061_FLUKA, P1061_SIGMA, SPECTRUM1502084, Proadifen hydrochloride (USAN), Proadifen hydrochloride [USAN], SKF-525A, 302-33-0 (Parent)

Molecular Formula: C23H32ClNO2Molecular Weight: 389.958680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FHIKZROVIDCMJA-UHFFFAOYSA-N

• Prostaglandin F1alpha
IUPAC Name: 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]heptanoic acid | CAS Registry Number: 745-62-0
Synonyms: Prostaglandin f1alpha, Prostaglandin F1, Protaglandin F1, PGF 1-alpha, Prostaglandin f1-alpha, Prostaglandin F1 alpha, BSPBio_001492, MLS000069612, P5765_SIGMA, CHEBI:28852, LMFA03010137, PGF1α, CID5280939, IDI1_033962, NCGC00021875-03, NCGC00021875-04, NCGC00021875-05, LS-58010, SMR000058791, C06475

Molecular Formula: C20H36O5Molecular Weight: 356.496840 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: DZUXGQBLFALXCR-CDIPTNKSSA-N

• Puromycin Dihydrochloride
IUPAC Name: (2S)-2-amino-N-[(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-methoxyphenyl)propanamide dihydrochloride | CAS Registry Number: 58-58-2
Synonyms: Puromycin hydrochloride, Puromycin dihydrochloride, Puromycin hydrochloride (USAN), CID11953958, C11618, D05655

Molecular Formula: C22H31Cl2N7O5Molecular Weight: 544.431440 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 10

InChIKey: MKSVFGKWZLUTTO-USYAMCSGSA-N

• Quisqualic Acid
IUPAC Name: (2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid | CAS Registry Number: 52809-07-1
Synonyms: Quisqualate, QUISQUALIC ACID, (+)-Quisqualic acid, Tocris-0188, 1mm6, 1mm7, 1p1o, Lopac0_001039, MLS001074741, Q2128_SIGMA, C5H7N3O5, PDSP1_000814, PDSP2_000801, NCGC00024489-01, NCGC00024489-02, NCGC00024489-03, NCGC00024489-04, SMR000471890, LS-175398, EU-0101039

Molecular Formula: C5H7N3O5Molecular Weight: 189.126180 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: ASNFTDCKZKHJSW-REOHCLBHSA-N

• Resveratrol
IUPAC Name: 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol | CAS Registry Number: 501-36-0
Synonyms: resveratrol, trans-resveratrol, (E)-resveratrol, 3,4',5-Stilbenetriol, 3,4',5-Trihydroxystilbene, Prestwick_619, 3,5,4'-Trihydroxystilbene, nchembio.140-comp2, Prestwick2_000508, Prestwick3_000508, Spectrum5_000552, Lopac0_001111, BSPBio_000435, BSPBio_001114, BSPBio_003461, 3,4',5-trihydroxy-stilbene, MLS000069735, MLS001055357, MLS001076538, R5010_SIGMA

Molecular Formula: C14H12O3Molecular Weight: 228.243280 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: LUKBXSAWLPMMSZ-OWOJBTEDSA-N

• Rifampicin
Synonyms: rifampin, Rimactane, Rifadin, Rimactan, Riforal, Ramp, Rifa, Rifaldazine, Rifaprodin, Rifoldine, Rimactizid, Archidyn, Rifoldin, Rifagen, Rimazid, Tubocin, Rifamycin AMP, Rifampicin SV, Rifampicinum, Fenampicin

Molecular Formula: C43H58N4O12Molecular Weight: 822.940220 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 15

InChIKey: FZYOVNIOYYPUPY-ZTWDQPHTSA-N

• Riluzole
IUPAC Name: 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine | CAS Registry Number: 1744-22-5
Synonyms: riluzole, Rilutek, Rilutek (TN), Prestwick-03A08, Riluzol [INN-Spanish], Riluzole [USAN:INN], Riluzolum [INN-Latin], Tocris-0768, Lopac-R-116, Prestwick0_000167, Prestwick1_000167, Prestwick2_000167, Prestwick3_000167, Spectrum2_000550, Biomol-NT_000245, C8H5F3N2OS, R116_SIGMA, Lopac0_001064, BSPBio_000033, Riluzole (JAN/USAN/INN)

Molecular Formula: C8H5F3N2OSMolecular Weight: 234.198310 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: FTALBRSUTCGOEG-UHFFFAOYSA-N

• S-(4-Nitrobenzyl)-6-thioinosine
IUPAC Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]oxolane-3,4-diol | CAS Registry Number: 38048-32-7
Synonyms: Nitrobenzylthioinosine, NBMPR, NBTI, 4-Nitrobenzylthioinosine, 6-(p-Nitrobenzylthio)inosine, MLS002153144, N2255_SIGMA, EINECS 253-753-4, AIDS210779, NSC 296962, AIDS-210779, BRN 1191080, ZINC02097863, NCGC00162270-01, SMR001230641, LS-127127, ST5298836, 6-((4-Nitrobenzyl)thio)-9-beta-D-ribofuranosylpurine, 6-[(4-Nitrobenzyl)thio]-9-beta-D-ribofuranosylpurine, 6-(((4-Nitrophenyl)methyl)thio)-9-beta-D-ribofuranosyl-9H-purine

Molecular Formula: C17H17N5O6SMolecular Weight: 419.411780 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 10

InChIKey: DYCJFJRCWPVDHY-LSCFUAHRSA-N

• Selegiline Hcl
IUPAC Name: N-methyl-N-[(2R)-1-phenylpropan-2-yl]prop-2-yn-1-amine hydrochloride | CAS Registry Number: 14611-52-0
Synonyms: Eldepryl, Selegiline hydrochloride, Deprenyl, Plurimen, Vivapryl, Otrasel, Seledat, Xilopar, Zelapar, Emsam, Jumex, Zydis selegiline, Jumex hydrochloride, Eldepryl hydrochloride, l-Deprenyl hydrochloride, Eldepryl (TN), Prestwick_846, Ambap747, (-)-Deprenil hydrochloride, (-)-Deprenyl hydrochloride

Molecular Formula: C13H18ClNMolecular Weight: 223.741720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: IYETZZCWLLUHIJ-UTONKHPSSA-N

• Seratrodast
IUPAC Name: 7-phenyl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoic acid | CAS Registry Number: 112665-43-7
Synonyms: SERATRODAST, Bronica, Bronica (TN), Abbott 73001, Seratrodast [USAN:INN], Abbott-73001, CCRIS 8939, ABT 001, ABT-001, Seratrodast (JAN/USAN/INN), AA-2414, C22H26O4, AA 2414, NCGC00181296-01, LS-30374, TL8000143, A 73001, D01123, A-73001, (+-)-7-(3,5,6-Trimethyl-1,4-benzoquinon-2-yl)-7-phenylheptanoic acid

Molecular Formula: C22H26O4Molecular Weight: 354.439440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ZBVKEHDGYSLCCC-UHFFFAOYSA-N

• Serotonin Hcl
IUPAC Name: 3-(2-aminoethyl)-1H-indol-5-ol hydrochloride | CAS Registry Number: 153-98-0
Synonyms: Serotonin hydrochloride, Prestwick_447, 5-Hydroxytryptamine hydrochloride, CCRIS 4420, MLS001332607, MLS001332608, MLS002153834, H9523_SIGMA, 5-HT, SBB003418, NCGC00093982-01, NCGC00093982-02, LS-83659, SMR000875214, EU-0100607, 3-(2-Aminoethyl)-5-hydroxyindole hydrochloride, H-8140, 1H-Indol-5-ol, 3-(2-aminoethyl)-, monohydrochloride

Molecular Formula: C10H13ClN2OMolecular Weight: 212.676020 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 3

InChIKey: MDIGAZPGKJFIAH-UHFFFAOYSA-N

• Sertraline Hydrochloride
IUPAC Name: (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride | CAS Registry Number: 79559-97-0
Synonyms: Zoloft, sertraline, Gladem, Serad, Sertraline hydrochloride, Atruline, Tresleen, Tatig, Lustral, Serlift, Aremis, Sertraline.HCl, Zoloft (TN), Ambap2474, C17H17Cl2N.HCl, Sertraline hydrochloride [USAN], MLS000758929, MLS001401398, S6319_SIGMA, SPECTRUM1505262

Molecular Formula: C17H18Cl3NMolecular Weight: 342.690520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: BLFQGGGGFNSJKA-XHXSRVRCSA-N

• Simvastatin
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] 2,2-dimethylbutanoate | CAS Registry Number: 79902-63-9
Synonyms: simvastatin, Zocor, Synvinolin, Sinvacor, Sivastin, Colemin, Medipo, Pantok, Denan, Lipex, Labistatin, Cholestat, Nivelipol, Rendapid, Vasotenal, Coledis, Corolin, Lodales, Simovil, Vytorin

Molecular Formula: C25H38O5Molecular Weight: 418.566220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: RYMZZMVNJRMUDD-HGQWONQESA-N

• Sodium Cacodylate Trihydrate
IUPAC Name: sodium dimethylarsinate | CAS Registry Number: 6131-99-3
Synonyms: Alkarsodyl, Arsecodile, Arsicodile, Arsycodile, Arsysodila, Broadside, Chemaid, Bolate, Bophy, Dutch-treat, Bolls-eye, cacodylic acid, Kakodylan dodny, Rad-E-Cate, Rad-e-cate 35, SODIUM CACODYLATE, Sodium dimethylarsinate, Sodium dimethylarsonate, Cacodylate de sodium, Dimethylarsinat sodny

Molecular Formula: C2H6AsNaO2Molecular Weight: 159.979210 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: IHQKEDIOMGYHEB-UHFFFAOYSA-M

• Spectinomycin Hydrochloride
Synonyms: actinospectacin, Prestwick_106, Ambap699, Spectinomycin dihydrochloride, SPECTRUM1500538, C11619

Molecular Formula: C14H26Cl2N2O7Molecular Weight: 405.271440 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 9

InChIKey: FOGDPGQSHLLYIK-XYQGXRRISA-N

• Sphingosylphosphorylcholine
IUPAC Name: (2-amino-3-hydroxyoctadec-4-enyl) 2-(trimethylazaniumyl)ethyl phosphate | CAS Registry Number: 1670-26-4
Synonyms: Lysosphingomyelin, sphingosylphosphorylcholine, CID5263

Molecular Formula: C23H49N2O5PMolecular Weight: 464.619321 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: JLVSPVFPBBFMBE-UHFFFAOYSA-N

• Streptozotocin
IUPAC Name: 1-methyl-1-nitroso-3-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]urea | CAS Registry Number: 18883-66-4
Synonyms: streptozocin, Zanosar, STREPTOZOTOCIN, streptozosin, alkylating agent, binds to DNA, Zanosar (TN), STRZ, Ambap3050, Spectrum_000960, Streptozocinium [Latin], Prestwick3_000732, Spectrum2_000062, Spectrum3_001087, Spectrum4_001244, Spectrum5_001047, RCRA waste no. U206, Streptozocin (USAN/INN), Streptozocin [USAN:INN], RCRA waste number U206

Molecular Formula: C8H15N3O7Molecular Weight: 265.220600 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 8

InChIKey: ZSJLQEPLLKMAKR-GKHCUFPYSA-N

• Sulindac Sulfide
IUPAC Name: 2-[6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]acetic acid | CAS Registry Number: 32004-67-4
Synonyms: Sulindac sulfide, C20H17FO2S, EINECS 250-892-2, CID91605, LS-174363, 5-Fluoro-2-methyl-1-(p-methylthiobenzylidene)-3-indenyl acetic acid, 1H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-(p-(methylthio)benzylidene)-, 1H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-((4-(methylthio)phenyl)methylene)-, 5-Fluoro-2-methyl-1-((4-(methylthio)phenyl)methylene)-1H-indene-3-acetic acid, 1H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-(4-(methylthio)phenyl)methylene-, (Z)-

Molecular Formula: C20H17FO2SMolecular Weight: 340.411183 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: LFWHFZJPXXOYNR-UHFFFAOYSA-N


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