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Credimate Trading Ltd.

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Profile: Credimate Trading Ltd. specializes in providing active ingredients, intermediates and research chemicals for medical, pesticide & chemical industries. Our products include hymexazol, dicamba potassium salt, sodium hydrogen piperazine-1,4-diethanesulphonate, sodium picosulfate, 5-bromoindole,1-propanesulfonyl chloride and hydrazine hydrate.

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• 3-Aminopiperidine dihydrochloride
IUPAC Name: piperidin-3-amine;dihydrochloride | CAS Registry Number: 138060-07-8
Synonyms: 3-Aminopiperidine 2HCl, piperidin-3-amine dihydrochloride, PubChem6755, ACMC-209tvl, SureCN306091, 3-AMINOPIPERIDINE HCL, KSC839O8J, 293369_ALDRICH, 3-piperidinamine dihydrochloride, Jsp002286, CTK7D9784, MolPort-000-000-369, ACT02106, 3-Amino-Piperidine Di-Hydrochloride, AC-876, OR6131, AKOS015894260, AG-B-95894, AM81346, AK-33202

Molecular Formula: C5H14Cl2N2Molecular Weight: 173.084060 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 2

InChIKey: GGPNYXIOFZLNKW-UHFFFAOYSA-N

• (R)-4-N-Boc-2-methylpiperazine
IUPAC Name: tert-butyl (3R)-3-methylpiperazine-1-carboxylate | CAS Registry Number: 163765-44-4
Synonyms: 674761_ALDRICH, (R)-1-Boc-3-methylpiperazine, (R)-4-Boc-2-methylpiperazine, 08571_FLUKA, (R)-2-Methyl-1-Boc-piperazine, FS011292, TL8006206, tert-Butyl (R)-3-methyl-1-piperazinecarboxylate

Molecular Formula: C10H20N2O2Molecular Weight: 200.278000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FMLPQHJYUZTHQS-MRVPVSSYSA-N

• 4-Amino-3-nitropyridine
IUPAC Name: 3-nitropyridin-4-amine | CAS Registry Number: 1681-37-4
Synonyms: 3-Nitro-4-pyridinamine, 3-Nitro-4-Aminopyridine, 4-Pyridinamine, 3-nitro-, 646962_ALDRICH, 646970_ALDRICH, ZERO/008536, SBB005533, A133, TL8001299, AE-641/00363027, A1043/0048912, 4,4'-Carbonylbis[2-(ethoxycarbonyl)benzoic acid], 1,3-phenylenediamine salt

Molecular Formula: C5H5N3O2Molecular Weight: 139.112100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: IUPPEELMBOPLDJ-UHFFFAOYSA-N

• (2S)-3-Methyl-2-(2-oxo-tetrahydro-pyrimidin-1-YL)-butyric acid
IUPAC Name: (2S)-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanoic acid | CAS Registry Number: 192725-50-1
Synonyms: (S)-3-Methyl-2-(2-oxotetrahydropyrimidin-1(2H)-yl)butanoic acid, (2S)-(1-Tetrahydropyramid-2-one)-3-methylbutanoic acid, SureCN627916, CTK8C4253, MolPort-003-850-480, ANW-71394, WTI-10556, AKOS016007501, LS30168, RP25782, AK-89742, KB-211490, WT-130051, 2(S)-(1-tetrahyr- Pyramid-2-one)-3-methyl butanoic acid, (2S)-3-Methyl-2-(2-oxotetrahydropyrimidin-1(2H)-yl)butanoic acid, (|AS)-Tetrahydro-|A-(1-methylethyl)-2-oxo-1(2H)-pyrimidineacetic Acid, (S)-Tetrahydro-|A-(1-methylethyl)-2-oxo-1(2H)-pyrimidineacetic Acid

Molecular Formula: C9H16N2O3Molecular Weight: 200.234940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: AFGBRTKUTJQHIP-ZETCQYMHSA-N

• 1-(3'-Chlorophenyl)-3-methyl-5-pyrazolone (CAS: 20629-90-7)
• 2-Chloro-5-hydroxymethylpyridine
IUPAC Name: (6-chloropyridin-3-yl)methanol | CAS Registry Number: 21543-49-7
Synonyms: 536016_ALDRICH, ZINC00169496, 5L-348S, C186, TL8001789

Molecular Formula: C6H6ClNOMolecular Weight: 143.570940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GOXYBEXWMJZLJB-UHFFFAOYSA-N

• 5-Amino-2-pyridinecarboxylic acid
IUPAC Name: 5-aminopyridine-2-carboxylic acid | CAS Registry Number: 24242-20-4
Synonyms: 5-aminopyridine-2-carboxylic acid, 5-Aminopicolinic acid, 5-Amino-2-pyridinecarboxylicacid, 5-AMINO-2-PICOLINIC ACID, AN-717/40173468, 5-amino-2-pyridinecarboxylic acid hydrochloride, PubChem15896, 5-Amino-2-carboxypyridine, ACMC-209ga3, SureCN249720, AC1N4J8B, KSC201O9N, Jsp004838, CTK1A1796, MolPort-000-001-371, WT641, 5-azanylpyridine-2-carboxylic acid, 2-Pyridinecarboxylic acid, 5-amino, AC-073, ANW-25369

Molecular Formula: C6H6N2O2Molecular Weight: 138.124040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: WDJARUKOMOGTHA-UHFFFAOYSA-N

• 5-Bromo-2-chloronicotinic acid
IUPAC Name: 5-bromo-2-chloropyridine-3-carboxylic acid | CAS Registry Number: 29241-65-4
Synonyms: 5-bromo-2-chloronicotinic acid, 5-bromo-2-chloropyridine-3-carboxylic acid, 5-bromo-2-chloronicotinicacid, 5-Bromo-2-chloro-3-pyridinecarboxylic Acid, 5-Bromo-3-carboxy-2-chloropyridine, SBB053021, PubChem12967, ACMC-209h7p, AC1MC85Q, KSC201O8R, AC1Q729S, Jsp005578, CTK1A1788, MolPort-000-002-297, BH384, ACN-S004065, ACT04481, ANW-26579, FC0355, WT2254

Molecular Formula: C6H3BrClNO2Molecular Weight: 236.450520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: UKNYSJCAGUXDOQ-UHFFFAOYSA-N

• 1-[(4-Nitrophenyl)methyl]pyrazole
IUPAC Name: 1-[(4-nitrophenyl)methyl]pyrazole | CAS Registry Number: 110525-57-0
Synonyms: 1-(4-Nitrobenzyl)-1H-pyrazole, 1-[(4-nitrophenyl)methyl]pyrazole, 1H-Pyrazole,1-[(4-nitrophenyl)methyl]-, ZINC00614333, AC1LJG1C, ACMC-1BR6P, Ambcb7903531, SureCN7094207, [(4-nitrophenyl)methyl]pyrazole, CTK4A6926, MolPort-002-276-964, ANW-52310, RW2360, SBB093113, AKOS013124898, AG-D-28048, MCULE-6493732823, AK-21730, BR-21730, KB-09212

Molecular Formula: C10H9N3O2Molecular Weight: 203.197360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ZFWQFBNNHCBSFT-UHFFFAOYSA-N

• 1-Ethyl-3,5-Dimethyl-1H-Pyrazole
IUPAC Name: 1-ethyl-3,5-dimethylpyrazole | CAS Registry Number: 17629-26-4
Synonyms: 1-Ethyl-3,5-dimethyl-1H-pyrazole, Pyrazole, 1-ethyl-3,5-dimethyl-, 1-ethyl-3,5-dimethylpyrazole, AC1LBXHG, AC1Q4VL2, SureCN2020938, CTK4D6137, MolPort-000-851-443, BB_SC-3745, ALBB-004452, ANW-59266, AR-1L2615, BBL007605, SBB024588, STK346768, ZINC08733277, 1H-Pyrazole,1-ethyl-3,5-dimethyl-, AKOS000265787, 1H-Pyrazole, 1-ethyl-3,5-dimethyl-, AG-B-92541

Molecular Formula: C7H12N2Molecular Weight: 124.183580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: WBTANXHOAUWNIK-UHFFFAOYSA-N

• (2R,5R)-5-Hydroxy-1,3-Oxathiolane-2-Carboxylic Acid (1R,2S,5R)-5-Methyl-2-(1-Methylethyl)cyclohexyl Ester
IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 5-hydroxy-1,3-oxathiolane-2-carboxylate | CAS Registry Number: 147126-62-3
Synonyms: ACMC-20n52w, AGN-PC-00P2JF, SureCN13835250, CTK8H0004, (2R,5R)-5-Hydroxy-1,3-oxathiolane-2-carboxylic acid (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, 1,3-Oxathiolane-2-carboxylicacid, 5-hydroxy-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester,(2R,5R)-, A808609, (5-methyl-2-propan-2-yl-cyclohexyl) 5-oxidanyl-1,3-oxathiolane-2-carboxylate, 5-hydroxy-1,3-oxathiolane-2-carboxylic acid (5-methyl-2-propan-2-ylcyclohexyl) ester, [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R,5R)-5-hydroxy-1,3-oxathiolane-2-carboxylate

Molecular Formula: C14H24O4SMolecular Weight: 288.402960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: KXKDZLRTIFHOHW-UHFFFAOYSA-N

• (3-(n-Isopropylaminocarbonyl)phenyl)boronic Acid
IUPAC Name: [3-(propan-2-ylcarbamoyl)phenyl]boronic acid | CAS Registry Number: 397843-69-5
Synonyms: 3-(Isopropylcarbamoyl)benzeneboronic acid, [3-(propan-2-ylcarbamoyl)phenyl]boronic Acid, [3-(N-Isopropylaminocarbonyl)phenyl]boronic acid, 3-(N-ISOPROPYLAMINOCARBONYL)BENZENEBORONIC ACID, 3-(isopropylcarbamoyl)phenylboronic acid, 3-(N-Isopropylaminocarbonyl)phenylboronic acid, PubChem6147, AC1MYBG5, ACMC-209j7n, SureCN177725, CTK4I1875, MolPort-001-768-219, ANW-29169, OR3961, AKOS005256310, AB20404, AG-F-40585, AK-45869, KB-27696, X0775

Molecular Formula: C10H14BNO3Molecular Weight: 207.034060 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: QDCRYXCSQKAWNM-UHFFFAOYSA-N

• 4-(benzylpiperazine-4-Yl)-Piperidine Dihydrochloride
IUPAC Name: 1-(1-phenylethyl)piperidine;dihydrochloride | CAS Registry Number: 13127-28-1
Synonyms: 1-(1-phenylethyl)piperidine dihydrochloride, A806232

Molecular Formula: C13H21Cl2NMolecular Weight: 262.218540 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: GIRGFUJTNQJBFO-UHFFFAOYSA-N

• (3s,4as,8as)-2-((2r)-2-((4s)-4,5-Dihydro-2-(3-Hydroxy-2-Methylphenyl)-4-Oxazolyl)-2-Hydroxyethyl)-N-(1,1-Dimethylethyl)decahydro-3-IsoQUINOLINEcarboxamide
IUPAC Name: (3S,4aS,8aR)-N-tert-butyl-2-[(2S)-2-hydroxy-2-[(4R)-2-(3-hydroxy-2-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]ethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide | CAS Registry Number: 188936-07-4
Synonyms: (3S,4aS,8aS)-2-[(2R)-2-[(4S)-2-[3-Hydroxy-2-methylphenyl]-4,5-dihydrooxazol-4-yl]-2-hydroxyethyl]decahydroisoquinoline-3-carboxylic acid tert-butylamide, nelfinavir oxazole impurity (impurity a), (3S,4aS,8aS)-2-[(2R)-2-[(4S)-4,5-Dihydro-2-(3-hydroxy-2-methylphenyl)-4-oxazolyl]-2-hydroxyethyl]-N-(1,1-dimethylethyl)decahydro-3-isoquinolinecarboxamide

Molecular Formula: C26H39N3O4Molecular Weight: 457.615 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: ZRYANTNFGRJTJS-WNOJEFIBSA-N

• 1,1'-(ethylenebis(thio-2,1-Phenylene))bis-1h-Pyrrole-2,5-Dione
IUPAC Name: 1-[2-[2-[2-(2,5-dioxopyrrol-1-yl)phenyl]sulfanylethylsulfanyl]phenyl]pyrrole-2,5-dione | CAS Registry Number: 68555-54-4
Synonyms: EINECS 271-430-6, CID110539, 1,2-Ethylenebis((2-maleimidophenyl)thio ether), 1,1'-(Ethylenebis(thio-2,1-phenylene))bis-1H-pyrrole-2,5-dione, 1H-Pyrrole-2,5-dione, 1,1'-(1,2-ethanediylbis(thio-2,1-phenylene))bis-

Molecular Formula: C22H16N2O4S2Molecular Weight: 436.503440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: IMRULEJVIHQQKE-UHFFFAOYSA-N

• 1-(2-(TRIFLUOROMETHYL)benzyl)piperazine
IUPAC Name: 1-[[2-(trifluoromethyl)phenyl]methyl]piperazine | CAS Registry Number: 94022-97-6
Synonyms: EINECS 301-592-6, CID3023322, BBV-5725267, 1-((2-(Trifluoromethyl)phenyl)methyl)piperazine

Molecular Formula: C12H15F3N2Molecular Weight: 244.256110 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: MJBOPIADUICXHW-UHFFFAOYSA-N

• 1-Boc-4-Methylpiperazine
IUPAC Name: tert-butyl 4-methylpiperazine-1-carboxylate | CAS Registry Number: 53788-49-1
Synonyms: 1-Boc-4-methylpiperazine, N-Boc-N-methylpiperazine, Tert-butyl 4-methylpiperazine-1-carboxylate, SureCN82012, AGN-PC-008DG0, Ambap53788-49-1, CTK8G1691, MolPort-003-845-261, AB1220, ZINC22052832, AKOS008846470, AG-F-85337, AK140243, 1-Methyl-4-(tert-butoxycarbonyl)piperazine, KB-114046, FT-0663532, A829771, 4-methyl-1-piperazinecarboxylic acid tert-butyl ester, 4-Methylpiperazine-1-carboxylic Acid tert-Butyl Ester, 4-Methyl-1-piperazinecarboxylic Acid 1,1-Dimethylethyl Ester

Molecular Formula: C10H20N2O2Molecular Weight: 200.278000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: CJDYFMIDIQXELO-UHFFFAOYSA-N

• 1-Benzyl-3-piperidinone
IUPAC Name: 1-(phenylmethyl)piperidin-3-one | CAS Registry Number: 40114-49-6
Synonyms: 1-benzylpiperidin-3-one, NSC84168, ALBB-006393, CID96650, 3-Piperidinone, 1-(phenylmethyl)-, ST5406577

Molecular Formula: C12H15NOMolecular Weight: 189.253600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BBQQULRBTOMLTC-UHFFFAOYSA-N

• (S)-Di-2-Naphthylprolinol
IUPAC Name: di(naphthalen-2-yl)-[(2S)-pyrrolidin-1-ium-2-yl]methanol | CAS Registry Number: 127986-84-9
Synonyms: ZINC02564899

Molecular Formula: C25H24NO+Molecular Weight: 354.464160 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: LNUDNNFEXRHHGY-DEOSSOPVSA-O

• 1,4-Benzodioxan-6-amine
IUPAC Name: 2,3-dihydro-1,4-benzodioxin-7-amine | CAS Registry Number: 22013-33-8
Synonyms: 3,4-Ethylenedioxyaniline, 1,4 Benzodioxan-6-amine, 6-Amino-1,4-benzodioxan, 1,4-Benzodioxan-6-ylamine, Oprea1_691270, 193232_ALDRICH, ZINC03861393, CID89148, EINECS 244-718-4, SDCCGMLS-0066218.P001, ST5164345, InChI=1/C8H9NO2/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5H,3-4,9H

Molecular Formula: C8H9NO2Molecular Weight: 151.162560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BZKOZYWGZKRTIB-UHFFFAOYSA-N

• 1-(4-Nitrophenyl)piperidine
IUPAC Name: 1-(4-nitrophenyl)piperidine | CAS Registry Number: 6574-15-8
Synonyms: Maybridge1_000682, Piperidine, 1-(4-nitrophenyl)-, 1-(p-Nitrophenyl)piperidine, Oprea1_814030, MLS001049200, 1-(4-Nitro-phenyl)-piperidine, AIDS019461, AIDS-019461, NSC15441, EINECS 229-492-7, ZINC03877772, SMR000427734, AI3-02748, A2428/0102837

Molecular Formula: C11H14N2O2Molecular Weight: 206.241060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: SGPLAXFUDTWHRS-UHFFFAOYSA-N

• (S)-1-(2-Chloroacetyl)Pyrrolidine-2-Carbonitrile
IUPAC Name: (2S)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile | CAS Registry Number: 207557-35-5
Synonyms: (2S)-1-(Chloroacetyl)-2-pyrrolidinecarbonitrile, (S)-1-(2-Chloroacetyl)pyrrolidine-2-carbonitrile, (S)-1-(2-Chloroacetyl)-pyrrolidine-2-carbonitrile, SBB066751, (2S)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile, (S)-1-(2-Chloro-acetyl)-pyrrolidine-2-carbonitrile, PubChem16324, SureCN605418, KSC201Q9R, Jsp004252, CTK1A1898, MolPort-004-760-290, ACT04998, ANW-47909, ZINC16697477, AKOS006291018, AKOS016015838, AB48307, AG-C-82100, AG-E-52276

Molecular Formula: C7H9ClN2OMolecular Weight: 172.612160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: YCWRPKBYQZOLCD-LURJTMIESA-N

• (S)-1-Boc-3-benzyl-piperazine
IUPAC Name: tert-butyl (3S)-3-benzylpiperazine-1-carboxylate | CAS Registry Number: 475272-55-0
Synonyms: (S)-1-Boc-3-benzylpiperazine, (S)-tert-butyl 3-benzylpiperazine-1-carboxylate, AG-F-61772, (S)-3-BENZYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, SureCN17058, CTK4J0076, MolPort-000-140-597, BH128, ANW-44813, FC0173, ZINC15022056, AKOS005258659, AKOS015911334, AB42214, AC-2221, RP06574, (S)-4-BOC-2-BENZYL-PIPERAZINE, AK-29277, KB-63432, AB1006411

Molecular Formula: C16H24N2O2Molecular Weight: 276.373960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YFIAVMMGSRDLLG-AWEZNQCLSA-N

• (3-Phenylaminocarbonylphenyl)boronic acid
IUPAC Name: [3-(phenylcarbamoyl)phenyl]boronic acid | CAS Registry Number: 397843-71-9
Synonyms: 3-(phenylcarbamoyl)phenylboronic acid, (3-PHENYLAMINOCARBONYLPHENYL)BORONIC ACID, 3-Phenylaminocarbonylphenylboronic acid, (3-PHENYLAMINOCARBONYL)BENZENEBORONIC ACID, ACMC-209j7p, SureCN1933481, CTK4I1877, MolPort-001-760-428, ANW-29171, AKOS015840713, AB20450, AG-F-40587, OR13127, (3-(Phenylcarbamoyl)phenyl)boronic acid, 3-Phenylaminocarbonylphenylboronic acid,, AK-61802, BP-11437, KB-33138, 3-PHENYLCARBAMOYLBENZENEBORONIC ACID, FT-0690170

Molecular Formula: C13H12BNO3Molecular Weight: 241.050280 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: ZFEJFNWZHUMGRH-UHFFFAOYSA-N

• (R)-tert-Butanethiosulfinate
IUPAC Name: 2-[(R)-tert-butylsulfinyl]sulfanyl-2-methylpropane | CAS Registry Number: 67734-35-4
Synonyms: (R)-S-tert-butyl 2-methylpropane-2-sulfinothioate, MolPort-005-938-070, ZINC04621016, RL04591, AK111546

Molecular Formula: C8H18OS2Molecular Weight: 194.357920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ZFKIFCIQBZYNIQ-LLVKDONJSA-N

• (S)-3-(benzoylthio)-2-methylpropionic acid
IUPAC Name: 3-(benzoylsulfanyl)-2-methylpropanoic acid | CAS Registry Number: 72679-02-8
Synonyms: EINECS 276-764-6, EINECS 277-857-4, 3-(Benzoylthio)-2-methylpropanoic acid, 3-(Benzoylsulfanyl)-2-methylpropanoic acid, (R)-3-(Benzoylthio)-2-methylpropionic acid, (S)-3-(Benzoylthio)-2-methylpropionic acid, 74407-70-8

Molecular Formula: C11H12O3SMolecular Weight: 224.276180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BCAYPPFBOJCRPN-UHFFFAOYSA-N

• 1-Boc-4-(4-methoxycarbonylphenyl)piperazine
IUPAC Name: tert-butyl 4-(4-methoxycarbonylphenyl)piperazine-1-carboxylate | CAS Registry Number: 158985-36-5
Synonyms: SBB066894, TERT-BUTYL 4-[4-(METHOXYCARBONYL)PHENYL]TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE, Methyl 4-(Boc-piperazin-1-yl)-benzoate, tert-Butyl 4-(4-(methoxycarbonyl)phenyl)piperazine-1-carboxylate, 4-[4-(Methoxycarbonyl)phenyl]-1-piperazinecarboxylic acid, 1,1-dimethylethyl ester, methyl 4-{4-[(tert-butyl)oxycarbonyl]piperazinyl}benzoate, METHYL 4-(4-[(TERT-BUTYL)OXYCARBONYL]PIPERAZINYL)BENZOATE, tert-Butyl 4-[4-(methoxycarbonyl)phenyl]piperazine-1-carboxylate, ZINC04247634, AC1MDTJL, SureCN2388387, 652385_ALDRICH, CTK4C9906, MolPort-000-142-868, AK-18004A, ANW-60060, AKOS015897870, AB23063, AG-E-08272, RP06946

Molecular Formula: C17H24N2O4Molecular Weight: 320.383460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: SMDBCJAJWDCJOP-UHFFFAOYSA-N

• 4-(Imidazol-1-yl)phenol
IUPAC Name: 4-imidazol-1-ylphenol | CAS Registry Number: 10041-02-8
Synonyms: 1-(p-Hydroxyphenyl)imidazole, 1-(4-Hydroxyphenyl)imidazole, 183725_ALDRICH, EINECS 233-121-4, ZINC00066090, SDCCGMLS-0065818.P001, ST5406691, InChI=1/C9H8N2O/c12-9-3-1-8(2-4-9)11-6-5-10-7-11/h1-7,12

Molecular Formula: C9H8N2OMolecular Weight: 160.172620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CYKCUAPYWQDIKR-UHFFFAOYSA-N

• (S)-(+)-P-Toluenesulfinamide
IUPAC Name: 4-methylbenzenesulfinamide | CAS Registry Number: 188447-91-8
Synonyms: (S)-(+)-p-Toluenesulfinamide, (S)-4-methylbenzenesulfinamide, PubChem9914, (S)-p-toluenesulfinamide, SureCN1645074, (S)-4-Methylbezenesulfinamide, CTK8B7507, (S)-4-TOLUENESULFINAMIDE, MolPort-003-984-024, ANW-57504, SBB070057, ZINC32179039, AKOS015897534, (S)-4-Methyl-benzenesulfinic acid amide, AK-81446, KB-05656, FT-0657477, 79549-EP2305695A2, 79549-EP2305696A2, 79549-EP2305697A2

Molecular Formula: C7H9NOSMolecular Weight: 155.217460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YNJDSRPIGAUCEE-JTQLQIEISA-N

• 2-Oxazolidinone, 3-(3-fluorophenyl)-5-[[(methylsulfonyl)oxy]methyl]-,(5R)-
IUPAC Name: [3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate | CAS Registry Number: 380380-55-2
Synonyms: CTK8I5016, (5R)-3-(3-FLUOROPHENYL)-5-[[(METHYLSULFONYL)OXY]METHYL]-2-OXAZOLIDINONE, A823968, methanesulfonic acid [3-(3-fluorophenyl)-2-oxo-5-oxazolidinyl]methyl ester, [3-(3-fluorophenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl methanesulfonate

Molecular Formula: C11H12FNO5SMolecular Weight: 289.280083 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: MSMCRHMUBYTUJP-UHFFFAOYSA-N

• 1-Benzo[b]thiophen-3-yl-2-bromoethan-1-one
IUPAC Name: 1-(1-benzothiophen-3-yl)-2-bromoethanone | CAS Registry Number: 26167-45-3
Synonyms: ZINC00158710, CID2776341, 2Y-0801

Molecular Formula: C10H7BrOSMolecular Weight: 255.130980 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: CKHWNGWAHFLCTJ-UHFFFAOYSA-N

• 1-Butyl-3-methylimidazolium tetrafluoroborate
IUPAC Name: 1-butyl-3-methylimidazol-3-ium;tetrafluoroborate | CAS Registry Number: 174501-65-6
Synonyms: BMIMBF4, 1-n-Butyl-3-Methylimidazolium Tetrafluoroborate, AG-E-24087, Bmim tetrafluoroborate, Basionics® EE 04, ACMC-209e8d, AC1MC0J5, AGN-PC-008UBP, DSSTox_CID_29087, DSSTox_RID_83306, UNII-T2TVZ2306T, DSSTox_GSID_49231, KSC174I1T, 91508_ALDRICH, Jsp003572, BMIMBF4; Basionics? EE 04, 39931_FLUKA, 91508_FLUKA, CTK0H4419, MolPort-003-931-804

Molecular Formula: C8H15BF4N2Molecular Weight: 226.022713 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: LSBXQLQATZTAPE-UHFFFAOYSA-N

• 1-Hexyl-3-methylimidazolium chloride
IUPAC Name: 1-hexyl-3-methylimidazol-3-ium | CAS Registry Number: 171058-17-6
Synonyms: ZINC02506533, CID2734164

Molecular Formula: C10H19N2+Molecular Weight: 167.271260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: RVEJOWGVUQQIIZ-UHFFFAOYSA-N

• 5-Oxazolidinecarboxylic acid, 3-benzoyl-2,2-dimethyl-4-phenyl-, (4S,5R)-
IUPAC Name: (4S,5R)-3-benzoyl-2,2-dimethyl-4-phenyl-1,3-oxazolidine-5-carboxylic acid | CAS Registry Number: 153652-70-1
Synonyms: (4s,5r)-3-benzoyl-2,2-dimethyl-4-phenyloxazolidine-5-carboxylic acid, SureCN6857415, 5-Oxazolidinecarboxylicacid, 3-benzoyl-2,2-dimethyl-4-phenyl-, (4S,5R)-, CTK0H4441, MolPort-009-197-975, ANW-52396, SBB063405, AKOS015839086, AKOS015888973, AG-E-01364, AM84492, AK-27261, BR-27261, KB-208443, FT-0647936, (4S,5R)-3-Benzoyl-2,2-dimethyl-4-phenyl-oxazolidine-5-carboxylic acid, (4S,5R)-3-benzoyl-2,2-dimethyl-4-phenyl-1,3-oxazolidine-5-carboxylic acid, 5-Oxazolidinecarboxylicacid, 3-benzoyl-2,2-dimethyl-4-phenyl-, (4S-trans)-;

Molecular Formula: C19H19NO4Molecular Weight: 325.358460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: AQOXAQNPPJHPAD-JKSUJKDBSA-N

• 3-hydroxy-4-(N,N-dimethylamino)-tetrahydrofuran
IUPAC Name: 4-(dimethylamino)oxolan-3-ol | CAS Registry Number: 10295-90-6
Synonyms: 3-hydroxy-4-(n,n-dimethylamino)tetrahydrofuran, 4-(Dimethylamino)tetrahydrofuran-3-ol, SureCN5737638, 4-(dimethylamino)-3-oxolanol, 4-(dimethylamino)oxolan-3-ol, AGN-PC-006I46, CTK0H4460, ANW-64023, AKOS006289716, AG-D-13036, AG-G-86964, AK-56125, Q661, KB-182978, FT-0656794, ST51051481, A800653, I14-1486, 4-(Dimethylamino)tetrahydro-3-furanol;4-(Dimethylamino)tetrahydrofuran-3-ol;3-Furanol,4-(dimethylamino)tetrahydro-;4-(Dimethylamino)oxolan-3-ol;

Molecular Formula: C6H13NO2Molecular Weight: 131.172920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: AGZUJWAKYFHDAV-UHFFFAOYSA-N

• (1S)-4,5-Dimethoxy-1-[(methylamino)methyl]benzocyclobutane
IUPAC Name: 1-[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]-N-methylmethanamine;hydrochloride | CAS Registry Number: 866783-13-3
Synonyms: (1S)-4,5-Dimethoxy-1-[(methylamino)methyl]benzocyclobutane hydrochloride, SureCN385259, CTK8B4485, MolPort-009-199-983, ANW-45256, AKOS015907626, AC-5503, RP28619, AK-44950, KB-00782, AB1008543, ST51054810, X0048, A20090, I14-2897, (1S)-4,5-Dimethoxy-1-(methylamino)methylbenzocyclobutane hydrochloride, (7S)-3,4-Dimethoxy-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-methanamine hydrochloride

Molecular Formula: C12H18ClNO2Molecular Weight: 243.729820 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: SWSAIQSQSDOONK-SBSPUUFOSA-N

• 2,4(1h,3h)-Pyrimidinedione, 1-[2,5-Anhydro-4-C-(hydroxymethyl)-α-L-Lyxofuranosyl]-
IUPAC Name: 1-[(1R,4S,6R,7S)-7-hydroxy-4-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-6-yl]pyrimidine-2,4-dione | CAS Registry Number: 200435-92-3
Synonyms: 3H)-Pyrimidinedi one, SCHEMBL1097185, CHEMBL3286452, KNLNWXXWKDEEFW-JIOCBJNQSA-N, CM-1942, 1-(2'-O,4-C-Methylene-?-D-ribofuranosyl)uridine, 1-[2,5-Anhydro-4-C- -alpha-L-lyxofuranosyl]-2,4 -pyrimidinedione, 1-[2,5-anhydro-4- C-(hydroxymethy l)-.alpha.-L-lyxof uranosyl]-2,4(1H,, (1S,3R,4R,7S)-7-Hydroxy-1-hydroxymethyl-3-(uracil-1-yl)-2,5-dioxabicyclo-[2.2.1]heptane, (1S,3R,4R,7S)-7-Hydroxy-1-hydroxymethyl-3-(uracil-1-yl)-2,5-dioxabicyclo[2.2.1]-heptane, (1S,3R,4R,7S)-7-Hydroxy-1-hydroxymethyl-3-(uracil-1-yl)-2,5-dioxabicyclo[2.2.1]heptane, 1-((1S,3R,4R,7S)-7-hydroxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl)pyrimidine-2,4(1H,3H)-dione

Molecular Formula: C10H12N2O6Molecular Weight: 256.212080 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: KNLNWXXWKDEEFW-JIOCBJNQSA-N

• 8-Azabicyclo[3.2.1]octane, 3-[3-Methyl-5-(1-Methylethyl)-4h-1,2,4-Triazol-4-Yl]-, (3-Exo)-
IUPAC Name: (1R,5S)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane | CAS Registry Number: 423165-07-5
Synonyms: (1R,3s,5S)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane, Maraviroc intermediate, SureCN13543096, SureCN13543097, MolPort-008-155-913, AKOS015918410, AK103286, KB-105489, FT-0665937, I14-8435, (1R,3S,5S)-3-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane, (3-exo)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane, (3-exo)-3-[3-Methyl-5-(prop-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octane, 4-[(3-exo)-8-Azabicyclo[3.2.1]oct-3-yl]-3-isopropyl-5-methyl-4H-1,2,4-triazole

Molecular Formula: C13H22N4Molecular Weight: 234.340580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CEIRCCADSFHOQD-FOSCPWQOSA-N

• (rs)-Duloxetine Hydrochloride
IUPAC Name: N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;hydrochloride | CAS Registry Number: 116817-11-9
Synonyms: (RS)-Duloxetine hydrochloride, (S)-duloxetine hydrochloride, N-methyl-3-(1-naphthalenyloxy)-3-thiophen-2-yl-1-propanamine hydrochloride, N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-yl-propan-1-amine hydrochloride, (RS)Duloxetine HCl, ACMC-20eg7j, SureCN647773, KSC492K4P, (R,S)-Duloxetine hydrochloride, CHEBI:36808, CTK3J2547, AKOS015961640, KS-1168, R509, A803638, A803677, A807077, I06-0229, N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propan-1-amine hydrochloride, N-methyl-3-(naphthalen-1-yloxy)-3-(2-thienyl)propan-1-amine hydrochloride

Molecular Formula: C18H20ClNOSMolecular Weight: 333.875500 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: BFFSMCNJSOPUAY-UHFFFAOYSA-N

• 1-[4-(1h-Imidazol-1-Yl)phenyl]methanamine
IUPAC Name: (4-imidazol-1-ylphenyl)methanamine | CAS Registry Number: 65113-25-9
Synonyms: 1-[4-(1H-imidazol-1-yl)phenyl]methanamine, 4-(Imidazol-1-yl)benzylamine, SBB052381, AG-G-44718, (4-imidazolylphenyl)methylamine, (4-(1H-imidazol-1-yl)phenyl)methanamine, [4-(1H-imidazol-1-yl)phenyl]methanamine, PubChem13302, AC1Q53XV, AGN-PC-002DTM, SureCN1011668, CTK5C2178, MolPort-000-899-591, 4-(1H-Imidazol-1-yl)benzylamine, ANW-48634, BBL003666, RW3206, STK873754, [4-(imidazol-1-yl)phenyl]methanamine, AKOS000218467

Molecular Formula: C10H11N3Molecular Weight: 173.214440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: MACCCEHTOQDLIP-UHFFFAOYSA-N

• 1-Ethyl-3-Methylimidazolium Trifluoromethanesulfonate
IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;trifluoromethanesulfonate | CAS Registry Number: 145022-44-2
Synonyms: 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate, EMIM Otf, ACMC-209ctv, AC1MBZ4M, DSSTox_CID_27941, DSSTox_RID_82693, DSSTox_GSID_47965, KSC685I3D, 68101_ALDRICH, 00738_FLUKA, 04367_FLUKA, 68101_FLUKA, CTK5I5431, MolPort-003-925-017, Tox21_201039, 1-Ethyl-3-methylimidazolium Triflate, ANW-20897, AKOS015853004, AKOS015903871, AG-A-19883

Molecular Formula: C7H11F3N2O3SMolecular Weight: 260.234050 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: ZPTRYWVRCNOTAS-UHFFFAOYSA-M

• 1-Butyl-3-Methylimidazolium Trifluoromethansulfonate
IUPAC Name: 1-butyl-3-methylimidazol-3-ium;trifluoromethanesulfonate | CAS Registry Number: 174899-66-2
Synonyms: 1-Butyl-3-methylimidazolium trifluoromethansulfonate, BMIM Otf, 1-Butyl-3-methylimidazolium trifluoromethanesulfonate, ACMC-1BWLN, Basionics® VS 12, AC1MC0OW, DSSTox_CID_29088, DSSTox_RID_83307, DSSTox_GSID_49232, KSC173G3F, 76420_ALDRICH, 76420_FLUKA, CTK0H3332, Tox21_202619, ANW-22735, NSC746783, AKOS015904066, AG-D-88538, AG-E-24590, NSC-746783

Molecular Formula: C9H15F3N2O3SMolecular Weight: 288.287210 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: FRZPYEHDSAQGAS-UHFFFAOYSA-M

• 1-Chloro-3,5-Di-(4-Chlorobenzoyl)-2-Deoxy-D-Ribose
IUPAC Name: [5-chloro-2-[(4-chlorobenzoyl)oxymethyl]oxolan-3-yl] 4-chlorobenzoate | CAS Registry Number: 21740-23-8
Synonyms: NSC140594, CID284577

Molecular Formula: C19H15Cl3O5Molecular Weight: 429.678400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: QEHCZULNFYDPPL-UHFFFAOYSA-N

• 2-Propenal, 3-[2-Cyclopropyl-4-(4-Fluorophenyl)-3-Quinolinyl]-, (2E)-
IUPAC Name: 3-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]prop-2-enal | CAS Registry Number: 148901-68-2
Synonyms: 2-Propenal,3-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-, 121660-63-7, (E)-3-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl-2-propenal, ACMC-20mpm1, CTK4B2582, CTK8G6928, AG-D-46953, A24870, (E)-3-[2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]prop-2-en-1-al, 3-[2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]prop-2-enal;(2E)-3-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]prop-2-enal;(2E)-3-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]prop-2-enal;2-propenal, 3-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-, (2E)-;(E)-3-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl-2-propenal;

Molecular Formula: C21H16FNOMolecular Weight: 317.356243 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: WULPWIFGZFQFEQ-UHFFFAOYSA-N

• (2-Methyl-1H-Benzimidazol-1-Yl)acetic Acid 0.5 Hydrate
IUPAC Name: 2-(2-methylbenzimidazol-1-yl)acetic acid | CAS Registry Number: 40332-17-0
Synonyms: Enamine_001840, Oprea1_058908, Oprea1_784008, (2-methyl-1H-benzimidazol-1-yl)acetic acid, ALBB-004716, CID719681, STK019245, BAS 00385246, BBV-000208, 2-Methyl-1H-benzimidazole-1-acetic acid, EC-000.1974, (2-Methyl-benzoimidazol-1-yl)-acetic acid, TL8007284, AF-399/33193016, 2-(2-methyl-1H-benzo[d]imidazol-1-yl)acetic acid

Molecular Formula: C10H10N2O2Molecular Weight: 190.198600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: SMGBDFGKVGSCGB-UHFFFAOYSA-N

• (3S,4S)-(+)-1-Benzyl-3,4-Pyrrolidinediol
IUPAC Name: (3S,4S)-1-benzylpyrrolidin-1-ium-3,4-diol | CAS Registry Number: 90365-74-5
Synonyms: ZINC02572368, CID7021492

Molecular Formula: C11H16NO2+Molecular Weight: 194.250240 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: QJRIUWQPJVPYSO-QWRGUYRKSA-O

• (R)-(-)-P-Toluenesulfinamide
IUPAC Name: 4-methylbenzenesulfinamide | CAS Registry Number: 247089-85-6
Synonyms: (R)-(-)-p-Toluenesulfinamide, (R)-4-methylbenzenesulfinamide, (R)-4-TOLUENESULFINAMIDE, PubChem9913, (R)-p-toluenesulfinamide, SureCN758088, 516899_ALDRICH, 520497_ALDRICH, ZINC00403365, (R)-4-Methyl-benzenesulfinic acid amide, AK129181, BP-12714, KB-03438, FT-0656545, 79552-EP2305695A2, 79552-EP2305696A2, 79552-EP2305697A2, 79552-EP2305698A2, I09-1205

Molecular Formula: C7H9NOSMolecular Weight: 155.217460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YNJDSRPIGAUCEE-SNVBAGLBSA-N

• 3-Amino-4-pyridinecarboxylic acid
IUPAC Name: 3-aminopyridine-4-carboxylic acid | CAS Registry Number: 7579-20-6
Synonyms: 3-Aminoisonicotinic acid, 3-Amino-isonicotinic acid, Oprea1_716398, MLS000736244, TPC-PY004, TPC-PY062, AIDS020455, 4-Pyridinecarboxylic acid, 3-amino-, AIDS-020455, ALBB-008671, 3-Amino-4-Pyridine Carboxylic Acid, CID459531, EC-000.1274, SMR000338494, TL8006949, AF-807/00322064, A3120/0132113

Molecular Formula: C6H6N2O2Molecular Weight: 138.124040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: FYEQKMAVRYRMBL-UHFFFAOYSA-N

• 4-Amino-2-bromopyridine
IUPAC Name: 2-bromopyridin-4-amine | CAS Registry Number: 7598-35-8
Synonyms: 2-Bromo-4-pyridinamine, 2-bromopyridin-4-ylamine, 654086_ALDRICH, NSC404690, CID346455, A2493G1, ST5166229, TL8005193, AC-907/30003013

Molecular Formula: C5H5BrN2Molecular Weight: 173.010600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GNTGEMWEXKBWBX-UHFFFAOYSA-N

• (R)-3-Hydroxytetrahydrofuran
IUPAC Name: (3R)-oxolan-3-ol | CAS Registry Number: 86087-24-3
Synonyms: (R)-(-)-3-Hydroxytetrahydrofuran, (R)-TETRAHYDROFURAN-3-OL, (R)-3-HYDROXYTETRAHYDROFURAN, (3R)-oxolan-3-ol, (3R)-Tetrahydrofuran-3-ol, AG-H-47296, S)-(-)-3-Hydoxy tetahydro tetrahydro furan, (S)-Tetrahydrofuran-3-ol, 84976-47-6, PubChem7071, SureCN329377, AC1LD30P, (R)-Tetrahydro-furan-3-ol, KSC496K1N, 309753_ALDRICH, Jsp000051, CTK3J6516, MolPort-001-768-431, (R)-(+)-3-Hydroxytetrahydrofuran, ACN-S002109

Molecular Formula: C4H8O2Molecular Weight: 88.105120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: XDPCNPCKDGQBAN-SCSAIBSYSA-N


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