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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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• 2-Bromo-3-hydroxypyridine
IUPAC Name: 2-bromopyridin-3-ol | CAS Registry Number: 6602-32-0
Synonyms: 2-Bromopyridin-3-ol, 2-Bromo-3-pyridinol, 3-PYRIDINOL, 2-BROMO-, 116173_ALDRICH, EINECS 229-547-5, 2-BROMO-3-HYDROXY PYRIDINE, ALBB-008720, BRN 0109829, SBB003805, ZINC00157191, LS-132988, TL8004681, 5-21-02-00086 (Beilstein Handbook Reference), AC-907/30002046

Molecular Formula: C5H4BrNOMolecular Weight: 173.995360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YKHQFTANTNMYPP-UHFFFAOYSA-N

• 8-Hydroxyquinoline Copper Salt
IUPAC Name: copper 8-hydroxyquinoline-2-carboxylate | CAS Registry Number: 10380-28-6
Synonyms: Copper 8-hydroxyquinolate

Molecular Formula: C20H12CuN2O6Molecular Weight: 439.865080 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: RQBCOKZWUQNLPR-UHFFFAOYSA-L

• 1,3-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (3R)-
IUPAC Name: (3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid | CAS Registry Number: 72925-16-7
Synonyms: (R)-1-Boc-pyrrolidine-3-carboxylic acid, (R)-1-N-Boc-beta-proline, (R)-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acid, boc-l-beta-proline, (r)-1-boc-3-carboxyl pyrrolidine, (r)-n-boc-pyrrolidine-3-carboxylic acid, (R)-1-N-Boc-belta-proline, R-1-BOC-Pyrrolidine-3-carboxylic acid, (r)-1-n-boc-pyrrolidine-3-carboxylic acid, (r)-pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester, 1,3-pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (3r)-, N-BOC-D-BETA-PROLINE, N-BOC-L-BETA-PROLINE, PubChem11134, AC1LTQ8N, SureCN42957, BOC-BETA-D-PROLINE, (R)-1-N-Boc-A-proline, KSC915G9D, CTK8B5391

Molecular Formula: C10H17NO4Molecular Weight: 215.246280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HRMRQBJUFWFQLX-SSDOTTSWSA-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

• 1-(2-Methoxyphenyl)piperazine
IUPAC Name: 1-(2-methoxyphenyl)piperazine | CAS Registry Number: 35386-24-4
Synonyms: Spectrum_000433, SpecPlus_000789, Lopac-S-008, Spectrum2_001818, Spectrum3_001032, Spectrum4_001166, Spectrum5_001749, 1-(o-Methoxyphenyl)piperazine, Lopac0_001122, Oprea1_660972, Oprea1_668117, 1-(2-Methoxyphenyl)-piperazine, BSPBio_002843, KBioGR_001771, KBioSS_000913, M22601_ALDRICH, DivK1c_006885, SPBio_001835, 65225_FLUKA, KBio1_001829

Molecular Formula: C11H16N2OMolecular Weight: 192.257540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: VNZLQLYBRIOLFZ-UHFFFAOYSA-N

• (S)-(+)-2-Hydroxy-4-phthalimidobutyric acid
IUPAC Name: (2S)-4-(1,3-dioxoisoindol-2-yl)-2-hydroxybutanoate | CAS Registry Number: 48172-10-7
Synonyms: ZINC00056909, CID6921645

Molecular Formula: C12H10NO5-Molecular Weight: 248.211500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: YWDXODQRCDEZLN-VIFPVBQESA-M

• (S)-(+)-Ibuprofen
IUPAC Name: (2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid | CAS Registry Number: 51146-56-6
Synonyms: ibuprofen, Seractil, DEXIBUPROFEN, d-Ibuproten, Atriscal, Dolomin, DexOptifen, d-Ibuprofen, Dexibuprofen lysine, (S)-Ibuprofen, (+)-Ibuprophen, (+)-Ibuprofen, S(+)-Ibuprofen, (S)-()-Ibuprofen, (+)-(S)-Ibuprofen, Lopac-I-106, Prestwick0_000907, Prestwick1_000907, Prestwick2_000907, Prestwick3_000907

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

InChIKey: HEFNNWSXXWATRW-JTQLQIEISA-N

• 1-Benzyl-4-cyano-4-phenylpiperidine hydrochloride
IUPAC Name: 4-phenyl-1-(phenylmethyl)piperidine-4-carbonitrile | CAS Registry Number: 56243-25-5
Synonyms: Oprea1_757244, BC-4-PP, AIDS124351, AIDS-124351, NSC23832, EINECS 275-305-7, 1-Benzyl-4-cyano-4-phenylpiperidine, NSC 23832, 1-Benzyl-4-phenyl-4-piperidinecarbonitrile, ST5307945, TL8006225, 1-N-Benzyl-4-cyano-4-phenylpiperidine hydrochloride, 4-Piperidinecarbonitrile, 4-phenyl-1-(phenylmethyl)-, 1-Benzyl-4-phenylpiperidine-4-carbonitrile monohydrochloride, 71258-18-9

Molecular Formula: C19H20N2Molecular Weight: 276.375500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: AUBONLVMDCVPQE-UHFFFAOYSA-N

• (S)-2-Amino-1-phenylethanol
IUPAC Name: (1S)-2-amino-1-phenylethanol | CAS Registry Number: 56613-81-1
Synonyms: 2-Amino-1-phenylethanol, 09222_FLUKA, TE4120, Benzenemethanol, alpha-(aminomethyl)-, (S)-alpha-(Aminomethyl)benzyl alcohol, InChI=1/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H, 7568-93-6

Molecular Formula: C8H11NOMolecular Weight: 137.179040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: ULSIYEODSMZIPX-MRVPVSSYSA-N

• 2,2'-Dipyridyl-4,4'-dicarboxylic acid
IUPAC Name: 2-(3,4-dimethylphenoxy)-N'-[1-(4-phenylphenyl)ethenyl]acetohydrazide | CAS Registry Number: 6813-38-3

Molecular Formula: C24H24N2O2Molecular Weight: 372.459560 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: YEDCTLOUYHSWIE-UHFFFAOYSA-N

• 1-(3-Methoxyphenyl)piperazine dihydrochloride
IUPAC Name: 1-(3-methoxyphenyl)piperazine dihydrochloride | CAS Registry Number: 6968-76-9
Synonyms: EINECS 230-189-7, AC 12605, TL8004898

Molecular Formula: C11H18Cl2N2OMolecular Weight: 265.179420 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: UKUNKQNESKRETR-UHFFFAOYSA-N

• (S)-4-N-Boc-piperazine-2-carboxylic acid
IUPAC Name: (2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid | CAS Registry Number: 848482-93-9
Synonyms: (s)-1-boc-piperazine-3-carboxylic acid, (S)-4-Boc-Piperazine-2-carboxylic acid, (S)-4-N-BOC-PIPERAZINE-2-CARBOXYLIC ACID, s-bpca, 4-Boc-piperazine-2-(S)-carboxylic acid, AG-H-39606, (s)-4-(tert-butoxycarbonyl)piperazine-2-carboxylic acid, (S)-4-N-Boc-piperazine-2-carboxylicacid, 1,3-Piperazinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (3S)-, (S)-1-(tert-Butoxycarbonyl)piperazine-3-carboxylic acid, (s)-piperazine-1,3-dicarboxylic acid 1-tert-butyl ester, (s)-1,3-piperazinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (S)-4-(tert-Butoxylcarbonyl)-piperazine-2-carboxylic acid; (S)-Piperazine-1,3-dicarboxylic acid 1-tert-butyl ester, PubChem11699, AC1LT3MC, SureCN1184732, KSC653E6L, CTK5F3265, MolPort-000-001-480, ANW-48369

Molecular Formula: C10H18N2O4Molecular Weight: 230.260920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: YRYAXQJXMBETAT-ZETCQYMHSA-N

• (1S)-(-)-2,10-Camphorsultam
Synonyms: ZINC05224826

Molecular Formula: C10H17NO2SMolecular Weight: 215.312480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: IHFYOCYXHWUKQJ-HXFLIBJXSA-N

• 1-benzhdrylazetidin-3-one
IUPAC Name: 1-benzhydrylazetidin-3-one | CAS Registry Number: 40320-60-3
Synonyms: 1-benzhydrylazetidin-3-one, 1-benzhydryl-azetidin-3-one, 1-(1,1-Diphenylmethyl)azetidin-3-one, 1-(diphenylmethyl)azetidin-3-one, SBB056225, AG-F-42893, PubChem10151, AC1MVN7P, SureCN62801, ACMC-209jd2, 1-benzhydryl-3-azetidinone, KSC496E0N, CTK3J6206, 1-(Diphenylmethyl)-3-azetidinone, 1-BENZHDRYLAZETIDIN-3-ONE, MolPort-001-770-790, HT787, 1-BENZHYDRYLAZETINDIN-3-ONE, ACN-S003129, ANW-29364

Molecular Formula: C16H15NOMolecular Weight: 237.296400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: AVUDXLOVIBJFQA-UHFFFAOYSA-N

• 4-chloro-pyridine-2-carboxylic Acid Methyl Ester
IUPAC Name: methyl 4-chloropyridine-2-carboxylate | CAS Registry Number: 24484-93-3
Synonyms: Methyl 4-Chloropicolinate, methyl 4-chloropyridine-2-carboxylate, 4-Chloro-pyridine-2-carboxylic acid methyl ester, 4-Chloropicolinic Acid Methyl Ester, 4-Chloropyridine-2-carboxylic acid methyl ester, 4-Chloro-2-pyridinecarboxylic Acid Methyl Ester, methyl 4-chloro-2-pyridinecarboxylate, methyl-4-chlorpyridin-2-carboxylat, 4-Chloro-pyridine-2-carboxylicacidmethylester, Methyl4-chloro-2-pyridinecarboxylatehydrochloride, 4-chloro-2-Pyridinecarboxylic acid, methyl ester, AQ-405/42300546, 2-PYRIDINECARBOXYLIC ACID, 4-CHLORO-, METHYL ESTER, ZINC00337474, PubChem9577, AC1LGGHA, ACMC-209gcn, AC1Q3PNA, methyl-4-chloropicolinate, SureCN177762

Molecular Formula: C7H6ClNO2Molecular Weight: 171.581040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: VTENWIPSWAMPKI-UHFFFAOYSA-N

• 1,4-diacrylylpiperazine
IUPAC Name: 1-(4-prop-2-enoylpiperazin-1-yl)prop-2-en-1-one | CAS Registry Number: 6342-17-2
Synonyms: Diacrylylpiperazine, Piperazine diacrylamide, 1,4-Di(acryloyl)piperazine, 1,4-Bis(acryloyl)piperazine, D1538_SIGMA, N,N'-Bis(acryloyl)piperazine, 542350_ALDRICH, IFLab1_003395, NSC49404, CID193422, NSC133364, ZINC01681330, Piperazine, 1,4-bis(1-oxo-2-propenyl)-, LS-123956, T0504-4993, BaP, PdA

Molecular Formula: C10H14N2O2Molecular Weight: 194.230360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: YERHJBPPDGHCRJ-UHFFFAOYSA-N

• 2-amino-nicotinic Acid Ethyl Ester
IUPAC Name: ethyl 2-aminopyridine-3-carboxylate | CAS Registry Number: 13362-26-0
Synonyms: Ethyl 2-aminonicotinate, Ethyl 2-aminopyridine-3-carboxylate, 2-Amino-nicotinic acid ethyl ester, ETHYL2-AMINONICOTINATE, SBB065654, PubChem12921, Ethyl 2-aminonicotinate,, ACMC-209bt4, SureCN181049, KSC492S9J, Jsp002051, CTK3J2994, MolPort-000-000-635, 2-Amino nicotinic acid ethyl ester, ETHYL 2-AMINONICOTINIC ACID, ACN-S003270, ACT04504, ANW-19574, CL0048, WT2256

Molecular Formula: C8H10N2O2Molecular Weight: 166.177200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: KIAGEDYOPMHRRB-UHFFFAOYSA-N

• 4-Chloro-7-Nitrobenofurazan P.A.
IUPAC Name: 4-chloro-7-nitro-2,1,3-benzoxadiazole | CAS Registry Number: 10199-89-0
Synonyms: Nbd chloride, NBD-chloride, 4-Chloro-7-nitrobenzofurazan, nchembio820-comp5, Chloronitrobenzoxadiazole, nchem.125-comp6, 7-Chloro-4-nitrobenzofurazan, NBF-Cl, Shokat-update-comp17, nchembio866-comp17, NBD-C 1, 1-Chloro-4-nitrobenzoxadiazole, 4-Nitro-7-chlorobenzofurazan, C6H2ClN3O3, Nitrobenzoxadiazole Chloride, 163260_ALDRICH, BENZOFURAZAN, 4-CHLORO-7-NITRO-, CID25043, 25455_FLUKA, EINECS 233-496-4

Molecular Formula: C6H2ClN3O3Molecular Weight: 199.551380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: IGHBXJSNZCFXNK-UHFFFAOYSA-N

• 1,3-Diphenylisobenzofuran
IUPAC Name: 1,3-di(phenyl)-2-benzofuran | CAS Registry Number: 5471-63-6
Synonyms: Diphenylisobenzofuran, 1,3 Diphenylisobenzofuran, 1,3-Diphenyl-2-benzofuran, 1,3-DIPHENYLISOBENZOFURAN, 105481_ALDRICH, 2,5-Diphenyl-3,4-benzofuran, 43092_FLUKA, CID21649, NSC28407, EINECS 226-808-5, NSC 28407, ZINC01037072, ST5308066, InChI=1/C20H14O/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(21-19)16-11-5-2-6-12-16/h1-14

Molecular Formula: C20H14OMolecular Weight: 270.324560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ZKSVYBRJSMBDMV-UHFFFAOYSA-N

• 4-Bromo-3-methylpyridine
IUPAC Name: 4-bromo-3-methylpyridine | CAS Registry Number: 10168-00-0
Synonyms: 4-Bromo-3-picoline, 3-METHYL-4-BROMOPYRIDINE, 4-BROMO-3-METHYL-PYRIDINE, AG-D-08949, PubChem10604, AC1L8LCF, SureCN550773, CTK3J3893, 4-BROMO-5-METHYLPYRIDINE, MolPort-000-002-354, ACT03640, ANW-14509, ZINC13283752, AKOS005256243, AC-5160, MCULE-8939501056, PB23248, RP02695, AK-25251, BR-25251

Molecular Formula: C6H6BrNMolecular Weight: 172.022540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: GYUAOSJIGMDMNJ-UHFFFAOYSA-N

• 4-Nitro-2-picoline-N-oxide
IUPAC Name: 2-methyl-4-nitro-1-oxidopyridin-1-ium | CAS Registry Number: 5470-66-6
Synonyms: 2-Methyl-4-nitropyridine 1-oxide, 4-Nitro-2-picoline N-oxide, 4-Nitro-2-methylpyridine-N-oxide, 454850_ALDRICH, NSC 27962, Pyridine, 2-methyl-4-nitro-, 1-oxide, 2-Methyl-4-nitropyridine-N-oxide, NSC27962, ZERO/009864, BRN 0135501, ZINC01641736, AI3-60232, SDCCGMLS-0064708.P001, FS000023, LS-131811, 5-20-05-00503 (Beilstein Handbook Reference), AC-907/30003032, InChI=1/C6H6N2O3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H

Molecular Formula: C6H6N2O3Molecular Weight: 154.123440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: FTTIAVRPJGCXAC-UHFFFAOYSA-N

• 2-Bromo-4-nitropyridine
IUPAC Name: 2-bromo-4-nitropyridine | CAS Registry Number: 6945-67-1
Synonyms: 2-bromo-4-nitropyridine, NSC52199, CID243015, ZINC01296687, TL8004870, AE-842/34022051

Molecular Formula: C5H3BrN2O2Molecular Weight: 202.993520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: AFVITJKRFRRQKT-UHFFFAOYSA-N

• (2R,3S/2S,3R)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol- 1-yl)butan-2-ol
IUPAC Name: (2S,3R)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol | CAS Registry Number: 182230-43-9
Synonyms: ent-Voriconazole, (2S,3R)-2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol, 137234-63-0, 188416-29-7, (2R,3S/2S,3R)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol, Voriconazole enantiomer, SureCN371715, UNII-1Y58LNV43M, Voriconazole related compound B, Jsp003733, CTK8E9204, MolPort-020-008-171, ZINC00000842, Voriconazole specified impurity D [EP], AK119804, Voriconazole related compound B RS [USP], KB-206599, FT-0631154, FT-0675849, (|AS,|AR)-|A-(2,4-Difluorophenyl)-5-fluoro-|A-methyl-|A-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol

Molecular Formula: C16H14F3N5OMolecular Weight: 349.310470 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: BCEHBSKCWLPMDN-HWPZZCPQSA-N

• 1-Boc-4-Ethoxycarbonylmethyl Piperazine
IUPAC Name: tert-butyl 4-(2-ethoxy-2-oxoethyl)piperazine-1-carboxylate | CAS Registry Number: 209667-59-4
Synonyms: tert-butyl 4-(2-ethoxy-2-oxoethyl)piperazine-1-carboxylate, 1-BOC-4-ETHOXYCARBONYLMETHYL PIPERAZINE, TERT-BUTYL 4-[(ETHOXYCARBONYL)METHYL]PIPERAZINE-1-CARBOXYLATE, SureCN1088524, CTK4E5560, ANW-47311, AKOS015918825, AB29290, AG-E-53893, RP07720, AK-49560, BR-49560, KB-80907, FT-0684863, ST51056183, 1-BOC-4-ETHOXYCARBONYLMETHYLPIPERAZINE, M-1428, 1-N-BOC-4-(ETHOXYCARBONYLMETHYL)PIPERAZINE, S13-0004, 1-Piperazineaceticacid, 4-[(1,1-dimethylethoxy)carbonyl]-, ethyl ester

Molecular Formula: C13H24N2O4Molecular Weight: 272.340660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: BWRNREIEPIQCOI-UHFFFAOYSA-N

• 1-Piperidinecarboxylic acid, 3-[(methoxymethylamino)carbonyl]-,1,1-dimethylethyl ester
IUPAC Name: tert-butyl 3-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate | CAS Registry Number: 189442-78-2
Synonyms: 1-Boc-3-(methoxy-methyl-carbamoyl)piperidine, 1-Boc-3-[methoxy(methyl)carbamoyl]piperidine, tert-Butyl 3-(methoxy(methyl)carbamoyl)piperidine-1-carboxylate, tert-butyl 3-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate, N-Boc-3-(Methoxy-Methyl-carbamoyl)piperidine, 1-Boc-N-methoxy-N-methylpiperidine-3-carboxamide, CTK4E0132, MolPort-000-001-799, ANW-73348, WTI-11554, 3-[methoxy(methyl)carbamoyl]piperidine, AKOS004910695, AB13062, AG-E-38331, AK-83471, KB-11419, AM20090107, FT-0656631, ST51055008, B65097

Molecular Formula: C13H24N2O4Molecular Weight: 272.340660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: NQGXVXHYGRAABB-UHFFFAOYSA-N

• 1-Boc-3-benzyl-piperazine
IUPAC Name: tert-butyl 3-benzylpiperazine-1-carboxylate | CAS Registry Number: 502649-29-8
Synonyms: 1-Boc-3-Benzylpiperazine, tert-Butyl 3-Benzylpiperazine-1-carboxylate, N-1-Boc-3-benzyl piperizine, SBB056138, AG-F-68774, SureCN2943387, 1-N-BOC-3-BENZYL, CTK4J2331, MolPort-003-985-771, N-BOC-3-BENZYL PIPERAZINE, ACT09779, 1-N-BOC-3-BENZYL PIPERAZINE, ANW-57892, N-1-BOC-3-BENZYL-PIPERAZINE, RW3459, AKOS005255250, AB31241, AC-2222, QC-1976, RP06576

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

InChIKey: YFIAVMMGSRDLLG-UHFFFAOYSA-N

• 1,3-dichloroisoquinoline
IUPAC Name: 1,3-dichloroisoquinoline | CAS Registry Number: 7742-73-6
Synonyms: 1,3-Dichloro-isoquinoline, isoquinoline, 1,3-dichloro-, 368830_ALDRICH, NSC170843, SBB003563, ZINC00331717, UX00003652, AC-907/25014223, InChI=1/C9H5Cl2N/c10-8-5-6-3-1-2-4-7(6)9(11)12-8/h1-5

Molecular Formula: C9H5Cl2NMolecular Weight: 198.048700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: BRGZEQXWZWBPJH-UHFFFAOYSA-N

• (S)-1-Benzyl-3-isopropylpiperazine
IUPAC Name: (3S)-1-(phenylmethyl)-3-propan-2-ylpiperazine | CAS Registry Number: 324748-62-1
Synonyms: N4-Benzyl-2-isopropylpiperazine, C-1131

Molecular Formula: C14H22N2Molecular Weight: 218.337880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HPOGZEGDXGTDSX-CQSZACIVSA-N


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