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Profile: Nanjing Cavendish Bio-Engineering Technology Co., Ltd. specializes in carbapenem series antibiotics, imipenem, meropenem, biapenem, faropenem & faropenem daloxate, anti-tumor drugs, gemcitabine hydrochloride, fludarabine phosphate, fluticasone propionate, and nicotinic acid series products.

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• Bisphenol C
IUPAC Name: 4-[2,2-dichloro-1-(4-hydroxyphenyl)ethenyl]phenol | CAS Registry Number: 14868-03-2
Synonyms: Dihydroxymethoxychlor olefin, CBMicro_020306, MLS001173647, STOCK2S-22441, 4,4'-(Dichlorovinylidene)diphenol, EINECS 238-940-0, ZINC00508310, Phenol, 4,4'-(dichloroethenylidene)bis-, 1,1-Dichloro-2,2-bis(4-hydroxyphenyl)ethylene, 4,4'-(Dichloroethenylidene)bis[phenol], SMR000538685, BIM-0020410.P001, 4,4'-(2,2-dichloroethene-1,1-diyl)diphenol, C14238, 5180-04-1

Molecular Formula: C14H10Cl2O2Molecular Weight: 281.134000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: OWEYKIWAZBBXJK-UHFFFAOYSA-N

• Custom Synthesis
• Decitabine
IUPAC Name: 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one | CAS Registry Number: 2353-33-5
Synonyms: Dezocitidine, Dacogen, 5-Aza-2'-deoxycytidine, AzadC, 5-Azadeoxycytidine, 5-aza-CdR, 5-aza-dC, Dacogen (TN), 2'-Deoxy-5-azacytidine, 5A2dc, 5-aza-2-deoxycytidine, 5-AZAdC, NCGC_5ADOC, Decitabine (USAN/INN), MolMap_000063, MLS001332587, MLS001332588, A3656_SIGMA, 5-Aza-2′-Deoxycytidine, 5-Deoxy-2′-azacytidine

Molecular Formula: C8H12N4O4Molecular Weight: 228.205280 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: XAUDJQYHKZQPEU-KVQBGUIXSA-N

• Diethyl 3,5-pyrazoledicarboxylate
IUPAC Name: diethyl 1H-pyrazole-3,5-dicarboxylate | CAS Registry Number: 37687-24-4
Synonyms: 3,5-Diethoxycarbonylpyrazole, NCIOpen2_006357, 387592_ALDRICH, NSC97126, ZINC00056854, ST5306964

Molecular Formula: C9H12N2O4Molecular Weight: 212.202580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: MBWXLICVQZUJOW-UHFFFAOYSA-N

• Ebselen
IUPAC Name: 2-phenyl-1,2-benzoselenazol-3-one | CAS Registry Number: 60940-34-3
Synonyms: ebselen, Harmokisane, Ebselene, Ebseleno, Ebselenum, Ebselene [French], Ebselenum [Latin], Ebseleno [Spanish], Ebselen [INN], Prestwick_1057, nchembio.109-comp1, C13H9NOSe, Prestwick0_000740, Prestwick1_000740, Prestwick2_000740, Prestwick3_000740, Spectrum2_001441, Spectrum3_000799, Spectrum4_000445, Spectrum5_001713

Molecular Formula: C13H9NOSeMolecular Weight: 274.176660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: DYEFUKCXAQOFHX-UHFFFAOYSA-N

• Edible Oils
• Ethyl 2-amino-6-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-3-carboxylate
IUPAC Name: ethyl 2-amino-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate | CAS Registry Number: 24237-39-6
Synonyms: Maybridge1_000188, Oprea1_663120, Oprea1_808445, ZERO/001316, ALBB-006983, NSC157359, BAS 01235099, EU-0071130, ethyl 2-amino-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate

Molecular Formula: C11H16N2O2SMolecular Weight: 240.321940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: BLLSMPCWRPCBDL-UHFFFAOYSA-N

• Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate
IUPAC Name: ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate | CAS Registry Number: 187035-79-6
Synonyms: SBB053947, AG-E-36126, ethyl 2-chloro-4-(trifluoromethyl)pyrimidne-5-carboxylate, ethyl 2-chloro-4-trifluoromethyl-5-pyrimidine carboxylate, ZINC02243756, PubChem11399, AC1MCXM9, KSC496M7T, AC1Q34B9, CTK3J6679, MolPort-000-155-203, ACT03749, ANW-72758, AKOS005064004, AB08490, ACN-000279, AK-27796, EN000059, HC210121, KB-83344

Molecular Formula: C8H6ClF3N2O2Molecular Weight: 254.593650 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: UDDSDBJYAMHCCW-UHFFFAOYSA-N

• 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

• Flurbiprofen
IUPAC Name: 2-(3-fluoro-4-phenylphenyl)propanoic acid | CAS Registry Number: 5104-49-4
Synonyms: flurbiprofen, Ansaid, Froben, Flugalin, Flubiprofen, Fluriproben, Cebutid, Ocuflur, Ocufen, Anmetarin, Dobrofen, Flurofen, Adofeed, Antadys, Strefen, Yakuban, Novo Flurprofen, Novo-Flurprofen, Nu Flurbiprofen, Nu-Flurbiprofen

Molecular Formula: C15H13FO2Molecular Weight: 244.260923 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: SYTBZMRGLBWNTM-UHFFFAOYSA-N

• Flurbiprofen Sodium
IUPAC Name: sodium 2-(3-fluoro-4-phenylphenyl)propanoate dihydrate | CAS Registry Number: 56767-76-1
Synonyms: Ocufen, Ocufen (TN), FLURBIPROFEN SODIUM, Flurbiprofen sodium (USP), CID5282495, D02290

Molecular Formula: C15H16FNaO4Molecular Weight: 302.273313 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: GNMBMOULKUXEQF-UHFFFAOYSA-M

• Gemcitabine Hydrochloride (CAS: 12111-03-9)
• GEO
IUPAC Name: (4-methoxyphenyl)methyl (2S,5R,6R)-3,3-dimethyl-4,7-dioxo-6-[(2-phenylacetyl)amino]-4$l^{4}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate | CAS Registry Number: 53956-74-4
Synonyms: C24H26N2O6S, 30034-13-0, AKOS015895475, R743, Penicillin-G-4-methoxybenzyl ester sulfoxide, LK-PENICILLININPENICILLINGTHEDERIVATIVES, I06-1060, (2S,5beta)-2beta-(4-Methoxyphenylmethoxycarbonyl)-3,3-dimethyl-7-oxo-6alpha-(phenylacetylamino)-4-thia-1-azabicyclo[3.2.0]heptane4-oxide

Molecular Formula: C24H26N2O6SMolecular Weight: 470.540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: HSSBYPUKMZQQKS-LPGANTDJSA-N

• L-Threonine methyl ester
IUPAC Name: methyl 2-amino-3-hydroxybutanoate | CAS Registry Number: 3373-59-9
Synonyms: dl-Threonine, methyl ester, NSC287508

Molecular Formula: C5H11NO3Molecular Weight: 133.145740 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: TVHCXXXXQNWQLP-UHFFFAOYSA-N

• N,N-Bis(2-Chloroethyl)Benzenemethanamine
IUPAC Name: N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine | CAS Registry Number: 55-51-6
Synonyms: N-Benzylnormechlorethamine, Benzyl nor-mechlorethamine, Bis(2-chloroethyl)benzylamine, Benzylbis(beta-chloroethyl)amine, Di-(2-chloroethyl)-benzylamine, TL 695, N,N-Bis(2-chloroethyl)benzylamine, CID5928, N-Benzyl-N,N-bis(2-chloroethyl)amine, BRN 2099546, N,N-Bis(2-chloroethyl)benzenemethanamine, Benzenemethanamine, N,N-bis(2-chloroethyl)-, BENZYLAMINE, N,N-BIS(2-CHLOROETHYL)-, LS-43174, STT-00261049, 4-12-00-02164 (Beilstein Handbook Reference)

Molecular Formula: C11H15Cl2NMolecular Weight: 232.149500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: VLWJKVNMRMHPCC-UHFFFAOYSA-N

• N-PROPYL GLYCIDYL ETHER
IUPAC Name: 2-(propoxymethyl)oxirane | CAS Registry Number: 3126-95-2
Synonyms: Propyl glycidyl ether, Glycidyl propyl ether, (Propoxymethyl)oxirane, Oxirane, (propoxymethyl)-, (Propoxy methyl)oxirane, Propane, 1,2-epoxy-3-propoxy-, Ether, 2,3-epoxypropyl propyl, NCIOpen2_001013, 1,2-EPOXY-3-PROPOXYPROPANE, EINECS 221-509-6, NSC 83412, Oxirane, (propoxymethyl)- (9CI), CID18406, NSC83412, BRN 0103029, LS-120805, 5-17-03-00011 (Beilstein Handbook Reference)

Molecular Formula: C6H12O2Molecular Weight: 116.158280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: CWNOEVURTVLUNV-UHFFFAOYSA-N

• Nimustine Hydrochloride
IUPAC Name: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-1-(2-chloroethyl)-1-nitrosourea hydrochloride | CAS Registry Number: 55661-38-6
Synonyms: Nidran, Nimustine hydrochloride, ACNU, Nidran hydrochloride, Nidran (TN), CS 439 HCl, Nimustina clorhidrato [Spanish], MLS002153238, Nimustine hydrochloride (JAN), CHEBI:7576, CS-439, NSC-245,382, NSC245382, SMR001230702, WLN: T6N CNJ B1 DZ E1MVNNO&2G, LS-158850, TL8003631, C11276, D01059, 1-(2-Cloroetil)-1-nitroso-3-((2-metil-4-aminopirimidin-5-il)metil)urea clorhidrato [Spanish]

Molecular Formula: C9H14Cl2N6O2Molecular Weight: 309.152460 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: KPMKNHGAPDCYLP-UHFFFAOYSA-N

• t-Butyl 4-bromobutyrate
IUPAC Name: tert-butyl 4-bromobutanoate

Molecular Formula: C8H15BrO2Molecular Weight: 223.107500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HJEZRYIJNHAIGY-UHFFFAOYSA-N

• Voriconazole
IUPAC Name: (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol | CAS Registry Number: 137234-62-9
Synonyms: Vfend, Vfend (TN), Pfizer brand of voriconazole, MLS000759464, MLS001424082, Voriconazole (JAN/USAN/INN), Voriconazole [USAN:BAN:INN], Voriconazole [USAN:INN:BAN], DRG-0301, AIDS045515, AIDS-045515, UK-109496, UK-109,496, DB00582, CPD000466350, SAM001246664, SMR000466350, LS-181799, TL8000858, UK 109496

Molecular Formula: C16H14F3N5OMolecular Weight: 349.310470 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 9

InChIKey: BCEHBSKCWLPMDN-MGPLVRAMSA-N

• 4-Bromophenylisocyanide
IUPAC Name: 1-bromo-4-isocyanobenzene | CAS Registry Number: 33554-73-3
Synonyms: 1-bromo-4-isocyanobenzene, TOS-BB-0773, AC1MBV5I, CTK5I6979, MolPort-000-147-630, BBL020634, STK893324, AKOS001476182, AG-A-72972, KB-37449, FT-0639111

Molecular Formula: C7H4BrNMolecular Weight: 182.017360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: UVXCIFWBXFTMOD-UHFFFAOYSA-N

• 3-Hydroxybenzamide
IUPAC Name: 3-hydroxybenzamide | CAS Registry Number: 618-49-5
Synonyms: 3-hydroxybenzamide, benzamide, 3-hydroxy-, Oprea1_435073, NSC379289, 3-HYDROXY-BENZOIC ACID,AMIDE, CID342403, InChI=1/C7H7NO2/c8-7(10)5-2-1-3-6(9)4-5/h1-4,9H,(H2,8,10

Molecular Formula: C7H7NO2Molecular Weight: 137.135980 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: NGMMGKYJUWYIIG-UHFFFAOYSA-N

• 4-Bromoresorcinol
IUPAC Name: 4-bromobenzene-1,3-diol | CAS Registry Number: 6626-15-9
Synonyms: Ambap4375, 1,3-Benzenediol, 4-bromo-, 2-bromobenzene-1,5-diol, 4-Bromo-1,3-benzenediol, 1-Bromo-2,4-dihydroxybenzene, B80607_ALDRICH, CPD-1621, NSC59699, EINECS 229-586-8, NSC 59699, ZINC00404317, InChI=1/C6H5BrO2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9

Molecular Formula: C6H5BrO2Molecular Weight: 189.006700 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: MPCCNXGZCOXPMG-UHFFFAOYSA-N

• 1-Hydroxypyrene
IUPAC Name: pyren-1-ol | CAS Registry Number: 5315-79-7
Synonyms: 1-Pyrenol, 1-HYDROXYPYRENE, 3-Hydroxypyrene, Pyren-1-ol, 1-Pyrenol (8CI), 1-Pyrenol (8CI)(9CI), 361518_ALDRICH, NSC 30968, CID21387, NSC30968, c0851, ZINC01661473, LS-184258, C14519, C033146, S14-1168, 63021-84-1

Molecular Formula: C16H10OMolecular Weight: 218.250000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: BIJNHUAPTJVVNQ-UHFFFAOYSA-N

• 4'-Chloro-2'-hydroxyacetophenone
IUPAC Name: 1-(4-chloro-2-hydroxyphenyl)ethanone | CAS Registry Number: 6921-66-0
Synonyms: 1-(4-chloro-2-hydroxyphenyl)ethanone, 4-CHLORO-2-HYDROXYACETOPHENONE, ZINC00730507, AC1LKW9M, SureCN498707, CTK6G8761, MolPort-001-770-284, ACT08108, ANW-63875, OR8803, AKOS015890758, AG-A-63246, AG-G-69086, MCULE-7331211656, QC-3585, 1-(4-Chloro-2-hydroxy-phenyl)-ethanone, AK-65138, KB-37750, 1-(4-Chloro-2-hydroxyphenyl)ethan-1-one, 1-(4-chloranyl-2-oxidanyl-phenyl)ethanone

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

InChIKey: QCVSDCHNBNFJDQ-UHFFFAOYSA-N

• 1,2,3,4-Tetrahydro-4-Methylquinoline
IUPAC Name: 4-methyl-1,2,3,4-tetrahydroquinoline | CAS Registry Number: 19343-78-3
Synonyms: 1,2,3,4-Tetrahydrolepidine, OWH-BB-9864, Lepidine, 1,2,3,4-tetrahydro-, CID86854, 1,2,3,4-Tetrahydro-4-methylquinoline, EINECS 242-977-8, AI3-22251, 4-Methyl-1,2,3,4-tetrahydroquinoline, Quinoline, 1,2,3,4-tetrahydro-4-methyl-, 74459-14-6

Molecular Formula: C10H13NMolecular Weight: 147.216920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: OXNZWCYNCDWCJA-UHFFFAOYSA-N

• 5-Aminophthalide
IUPAC Name: 5-amino-3H-2-benzofuran-1-one | CAS Registry Number: 65399-05-5
Synonyms: Oprea1_541725, Oprea1_794500, MLS000719182, 5-Amino-3H-isobenzofuran-1-one, 5-amino-2-benzofuran-1(3H)-one, ZERO/009021, EINECS 265-731-1, ZINC00122281, BAS 06910978, SMR000291450, AE-641/30105045

Molecular Formula: C8H7NO2Molecular Weight: 149.146680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ISMUWQMUWFPFBZ-UHFFFAOYSA-N

• 2,5-Dichloronicotinic acid
IUPAC Name: 2,5-dichloropyridine-3-carboxylic acid | CAS Registry Number: 59782-85-3
Synonyms: 2,5-dichloropyridine-3-carboxylic Acid, 2,5-dichloronicotinicacid, SBB065552, 3-PYRIDINECARBOXYLIC ACID, 2,5-DICHLORO-, PubChem2601, ACMC-209mfn, AC1MC4SL, 2,5-Dichloro-nicotinic acid, KSC269G2R, CTK1G9328, MolPort-000-002-888, AC1Q7300, ACN-S004207, ACT02418, ANW-33345, CL0015, WT2046, AKOS005071148, AB10181, AC-4668

Molecular Formula: C6H3Cl2NO2Molecular Weight: 191.999520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: SXQSMLIMBNMUNB-UHFFFAOYSA-N

• 1-Heptane Sulphonic Acid Sodium Salt
IUPAC Name: sodium heptane-1-sulfonate | CAS Registry Number: 22767-50-6
Synonyms: Sodium heptane-1-sulphonate, SODIUM HEPTANE SULFONATE, 51832_FLUKA, 51833_FLUKA, 51835_FLUKA, CID89828, 1-Heptanesulfonic acid, sodium salt, EINECS 245-210-5, Sodium 1-heptanesulfonate monohydrate, 1-Heptanesulfonic acid sodium salt monohydrate

Molecular Formula: C7H15NaO3SMolecular Weight: 202.246970 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: REFMEZARFCPESH-UHFFFAOYSA-M

• 4-Aminotetrahydropyran
IUPAC Name: oxan-4-amine | CAS Registry Number: 38041-19-9
Synonyms: tetrahydro-2H-pyran-4-amine, ALBB-005323, ZERO/009164, CID419223, NSC112471, TL8006501

Molecular Formula: C5H11NOMolecular Weight: 101.146940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: AHVQYHFYQWKUKB-UHFFFAOYSA-N

• 2,4-Dihydroxybenzonitrile
IUPAC Name: 2,4-dihydroxybenzonitrile | CAS Registry Number: 64419-24-5
Synonyms: EINECS 264-886-2, CID3017520, TL8007043

Molecular Formula: C7H5NO2Molecular Weight: 135.120100 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: JFZAJWBGISKERI-UHFFFAOYSA-N

• 5-Amino-2-Methoxypyridine-4-Carboxylic Acid
IUPAC Name: 5-amino-2-methoxypyridine-4-carboxylic acid | CAS Registry Number: 183741-91-5
Synonyms: 5-amino-2-methoxypyridine-4-carboxylic acid, 5-AMINO-2-METHOXYISONICOTINIC ACID, 5-Amino-2-methoxy-isonicotinic acid, AG-E-33397, 5-Amino-2-methoxypyridine-4-carboxylicacid, PubChem16080, AC1MC6YN, SureCN2002960, CTK0H3739, MolPort-000-000-701, QC-79, ACN-S003002, ANW-59971, SBB065390, AKOS006282149, HP11448, PB30757, RP23076, RP23079, AK-28924

Molecular Formula: C7H8N2O3Molecular Weight: 168.150020 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: BFYPMZJYCXUXFW-UHFFFAOYSA-N

• 3-(5-Nitro-2-furyl)acrolein
IUPAC Name: (E)-3-(5-nitrofuran-2-yl)prop-2-enal | CAS Registry Number: 1874-22-2
Synonyms: 5-Nitro-2-furanacrolein, 5-Nitro-2-furylacrolein, 5-Nitrofuryl-2-acrolein, Ambap7442, 5-Nitrofuran-2-acrylaldehyde, CCRIS 1541, 2-FURANACROLEIN, 5-NITRO-, EINECS 217-499-8, ZINC02039160, 3-(5-Nitro-2-furyl)-2-propenal, BRN 0005494, EINECS 258-078-9, 2-Propenal, 3-(5-nitro-2-furanyl)-, CID5462962, (E)-3-(5-Nitro-2-furyl)acrylaldehyde, LS-70045, (2E)-3-(5-nitro-2-furyl)-2-propenal, ST5308363, 4-17-00-04700 (Beilstein Handbook Reference), 52661-56-0

Molecular Formula: C7H5NO4Molecular Weight: 167.118900 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: DXWCZMGIIFEEPU-OWOJBTEDSA-N

• 2-Bromo-6-fluorophenol
IUPAC Name: 2-bromo-6-fluorophenol | CAS Registry Number: 2040-89-3
Synonyms: 2-BROMO-6-FLUOROPHENOL, 2-Fluoro-6-bromophenol, Phenol, 2-bromo-6-fluoro-, AG-E-49595, ZINC02510737, PubChem1487, ACMC-209f9w, AC1MCV70, Phenol,2-bromo-6-fluoro-, SureCN1423679, KSC544C4N, CTK4E4146, MolPort-001-771-574, ACT00603, ANW-24066, SBB091218, AKOS005145602, AC-3754, AS00388, QC-7937

Molecular Formula: C6H4BrFOMolecular Weight: 190.997763 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: DNFDDDWPODPCHU-UHFFFAOYSA-N

• 3-(4-Bromo-phenyl)-3-oxo-propionic acid ethylester
IUPAC Name: ethyl 3-(4-bromophenyl)-3-oxopropanoate | CAS Registry Number: 26510-95-2
Synonyms: ethyl 3-(4-bromophenyl)-3-oxopropanoate, Ethyl (4-bromobenzoyl)acetate, AG-E-83518, ETHYL 3-(4-BROMOPHENYL)-3-OXO-PROPANOATE, 3-(4-bromophenyl)-3-oxo-propionic acid ethyl ester, 3-(4-bromo-phenyl)-3-oxo-propionic acid ethyl ester, Ethyl 3-(4-bromophenyl)-3-oxo-propionate, ZINC02559803, PubChem22972, ACMC-1CLDT, SureCN13634, AC1MBV77, 559202_ALDRICH, CTK4F8037, MolPort-000-152-341, ACT02844, AB2833, ANW-45721, AKOS009259659, AG-A-51901

Molecular Formula: C11H11BrO3Molecular Weight: 271.107240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: PBDYXCKRDRCJDC-UHFFFAOYSA-N

• 4-Fluoro-2-iodoaniline
IUPAC Name: 4-fluoro-2-iodoaniline | CAS Registry Number: 61272-76-2
Synonyms: 4-fluoro-2-iodoaniline, 2-iodo-4-fluoroaniline, 4-fluoro-2-indoaniline, 4-Fluoro-2-iodo-phenylamine, 4-FLUORO-2-IODOANLINE, ST51041985, 4-fluoro-2-iodophenylamine, ZINC02584360, zlchem 368, PubChem3413, AC1MCSXZ, SureCN187936, 4-fluoro-2-iodobenzenamine, ACMC-1B72S, KSC493O5B, CTK3J3750, ZLC0212, BUTTPARK 34\07-79, MolPort-000-155-602, ACN-S003780

Molecular Formula: C6H5FINMolecular Weight: 237.013473 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: SETOTRGVPANENO-UHFFFAOYSA-N

• 1,3,4,5-Tetrahydro-2H-1-Benzazepin-2-One
IUPAC Name: 1,3,4,5-tetrahydro-1-benzazepin-2-one | CAS Registry Number: 4424-80-0
Synonyms: NCIOpen2_000317, MLS000660452, NSC65882, ZINC04101101, 1,3,4,5-tetrahydro-2H-1-benzazepin-2-one, SMR000309971, Benzo[b]azepin-2-one, 1,3,4,5-tetrahydro-, AR-438/40240582, A3763/0159577

Molecular Formula: C10H11NOMolecular Weight: 161.200440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: HRVRAYIYXRVAPR-UHFFFAOYSA-N

• 1,4-Dichlorophthalazine
IUPAC Name: 1,4-dichlorophthalazine | CAS Registry Number: 4752-10-7
Synonyms: CCRIS 6799, Phthalazine, 1,4-dichloro-, 126020_ALDRICH, EINECS 225-275-6, ZINC00039640, TL806088, LS-188337, ST5331280

Molecular Formula: C8H4Cl2N2Molecular Weight: 199.036760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ODCNAEMHGMYADO-UHFFFAOYSA-N

• 5-METHOXY-1-INDANONE-3-ACETIC ACID
IUPAC Name: 2-(6-methoxy-3-oxo-1,2-dihydroinden-1-yl)acetic acid | CAS Registry Number: 24467-92-3
Synonyms: Oprea1_266175, 225282_ALDRICH, STOCK1N-14158, BRN 2118149, MolPort-001-790-911, 5-Methoxy-1-indanone-3-acetic acid, 6-Methoxy-3-oxo-1-indanacetic acid, CID212526, LS-81603, 3-10-00-04342 (Beilstein Handbook Reference), 6-Methoxy-3-oxo-2,3-dihydro-1H-indene-1-acetic acid, 1H-Indene-1-acetic acid, 2,3-dihydro-6-methoxy-3-oxo-

Molecular Formula: C12H12O4Molecular Weight: 220.221280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: QOTZOFGBBCMWEP-UHFFFAOYSA-N

• 6,7-Dihydro-6-mercapto-5H-pyrazolo[1,2-a][1,2,4]triazolium chloride
IUPAC Name: 6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-thiol;chloride | CAS Registry Number: 153851-71-9
Synonyms: 6,7-Dihydro-6-mercapto-5h-pyrazolo[1,2-a][1,2,4]triazol-4-ium chloride, 5H-Pyrazolo[1,2-a][1,2,4]triazol-4-ium, 6,7-dihydro-6-mercapto-, chloride, Side chain for biapenem, MolPort-003-986-473, ANW-73895, SBB066376, AKOS006284722, AC-2026, RP17817, AK-47895, L840, TL8001153, M-2663, I09-0251, 6,7-dihydro-6-mercapto-5H-pyrazolo[1,2-a][1,2,4]triazolium chloride; 6,7-dihydro-6-mercapto-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium,c hloride

Molecular Formula: C5H8ClN3SMolecular Weight: 177.655120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: HPBXUFOSZBCEIQ-UHFFFAOYSA-N

• 2,3-Dihydroxybenzaldehyde
IUPAC Name: 2,3-dihydroxybenzaldehyde | CAS Registry Number: 24677-78-9
Synonyms: o-Pyrocatechualdehyde, Benzaldehyde, 2,3-dihydroxy-, 5,6-Dihydroxybenzaldehyde, 189839_ALDRICH, CHEBI:50197, EINECS 246-398-1, NSC146456, SBB004190, ZINC00332561, NSC 146456, D140, AE-641/30608014, InChI=1/C7H6O3/c8-4-5-2-1-3-6(9)7(5)10/h1-4,9-10, 23A

Molecular Formula: C7H6O3Molecular Weight: 138.120740 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: IXWOUPGDGMCKGT-UHFFFAOYSA-N

• 3,4-dibromofuran
IUPAC Name: 3,4-dibromofuran | CAS Registry Number: 32460-02-9
Synonyms: furan, 3,4-dibromo-, 3,4-Dibromofurane, 3,4-Dibromofuran;, PubChem22666, ACMC-209hta, 3,4-bis(bromanyl)furan, AC1LD2Y7, SureCN2084015, CTK1C1990, MolPort-000-140-869, ANW-27356, ZINC02245234, AKOS015835701, AG-F-08530, AK107036, KB-28136, QC-10353, AM20080680, FT-0639027, TL80073455

Molecular Formula: C4H2Br2OMolecular Weight: 225.866080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ZBNAIRILIJMDEE-UHFFFAOYSA-N

• 5-chloro-3-sulfo-2-Thiophenecarboxylic acid
IUPAC Name: 5-chloro-3-sulfothiophene-2-carboxylic acid | CAS Registry Number: 187746-94-7
Synonyms: 5-Chloro-3-sulfothiophene-2-carboxylic acid, AKOS016012277, AK122965, KB-245667

Molecular Formula: C5H3ClO5S2Molecular Weight: 242.657320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: RBQFMYATYGPWNV-UHFFFAOYSA-N

• 2-(N,N-diMethylsulfonyl) Phenylboronic acid (CAS: 17843-25-2)
• 2-amino-3-bromobenzoic acid
IUPAC Name: 2-amino-3-bromobenzoic acid | CAS Registry Number: 20776-51-6
Synonyms: 2-Amino-3-bromobenzoic acid, Benzoic acid, 2-amino-3-bromo-, NSC112517, MO 07275

Molecular Formula: C7H6BrNO2Molecular Weight: 216.032040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: SRIZNTFPBWRGPB-UHFFFAOYSA-N

• 3-Amino-5-chloro-2-hydroxybenzoic acid methyl ester
IUPAC Name: methyl 3-amino-5-chloro-2-hydroxybenzoate | CAS Registry Number: 5043-81-2
Synonyms: methyl 3-amino-5-chloro-2-hydroxybenzoate, 3-AMINO-5-CHLORO-2-HYDROXYBENZOIC ACID METHYL ESTER, ST081140, 3-Amino-5-chloro-2-hydroxybenzoicacidmethylester, ZINC00056374, PubChem2481, AC1LEL38, SureCN1549467, KSC269I5N, CTK1G9456, MolPort-002-720-916, ACT00796, ANW-47446, SBB064183, STK663962, AKOS005526318, AG-F-69593, LS10172, AK-35358, BR-35358

Molecular Formula: C8H8ClNO3Molecular Weight: 201.607020 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: YPSOMLZFAVONTN-UHFFFAOYSA-N

• 1-(2-Hydroxyethyl)-4-methylpiperazine
IUPAC Name: 2-(4-methylpiperazin-1-yl)ethanol | CAS Registry Number: 5464-12-0
Synonyms: 1-[N-Methylpiperazine]ethanol, NSC26888, N-(2-Hydroxyethyl)-N'-methylpiperazine, CID231184, 1-(2-Hydroxyethyl)-4-methyl-piperazine, SL-00104

Molecular Formula: C7H16N2OMolecular Weight: 144.214740 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: QHTUMQYGZQYEOZ-UHFFFAOYSA-N

• 4-Piperidone
IUPAC Name: piperidin-4-one | CAS Registry Number: 41661-47-6
Synonyms: 4-Piperidinone, piperidin-4-one, ALBB-005978, EINECS 255-481-1, ST5214358, 40064-34-4

Molecular Formula: C5H9NOMolecular Weight: 99.131060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: VRJHQPZVIGNGMX-UHFFFAOYSA-N

• 3-Chloro-1,2,4-triazole
IUPAC Name: 5-chloro-1H-1,2,4-triazole | CAS Registry Number: 6818-99-1
Synonyms: 3-Chloro-s-triazole, s-Triazole, 3-chloro-, 3-Chloro-1H-1,2,4-triazole, 1H-1,2,4-Triazole, 3-chloro-, EINECS 229-892-1, NSC153381, ZINC03882494, ZINC04502083, ZINC05380440, MS-2906, NSC 153381, s-Triazole, 3-chloro- (VAN) (8CI), AG-670/31549022, T0503-8187, 15182-43-1

Molecular Formula: C2H2ClN3Molecular Weight: 103.510380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: QGOUKZPSCTVYLX-UHFFFAOYSA-N

• 1-Cyclopropyl-1-methylethanol
IUPAC Name: 2-cyclopropylpropan-2-ol | CAS Registry Number: 930-39-2
Synonyms: 2-Cyclopropyl-2-propanol, NSC179299, Cyclopropanemethanol, .alpha.,.alpha.-dimethyl-

Molecular Formula: C6H12OMolecular Weight: 100.158880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: ITQVACMQJLOIDS-UHFFFAOYSA-N

• 4-METHOXYRESORCINOL
IUPAC Name: 4-methoxybenzene-1,3-diol | CAS Registry Number: 6100-60-3
Synonyms: 4-Methoxy-1,3-benzenediol, 1,3-Benzenediol, 4-methoxy-, MolPort-008-154-516, CID3083936

Molecular Formula: C7H8O3Molecular Weight: 140.136620 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: GPJJASIJVRXZFI-UHFFFAOYSA-N


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