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• Acenaphthene-5-boronic acid
IUPAC Name: 1,2-dihydroacenaphthylen-5-ylboronic acid | CAS Registry Number: 183158-33-0
Synonyms: AC1MTDHK, ACMC-209ekf, SureCN3318165, 567477_ALDRICH, CTK4D8429, MolPort-000-931-745, ANW-23149, AKOS004113965, AG-E-32896, KB-47038, 1,2-dihydroacenaphthylen-5-ylboronic acid, X0587, Boronic acid,B-(1,2-dihydro-5-acenaphthylenyl)-, I04-7041, Boronicacid, (1,2-dihydro-5-acenaphthylenyl)- (9CI); (5-Acenaphthenyl)boronic acid

Molecular Formula: C12H11BO2Molecular Weight: 198.025540 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: RBYUCFIZMNKDGX-UHFFFAOYSA-N

• Alpha-Phenyl Vinylboronic Acid
IUPAC Name: 1-phenylethenylboronic acid | CAS Registry Number: 14900-39-1
Synonyms: 1-Phenylvinylboronic acid, 1-phenylethenylboronic Acid, alpha-Phenyl vinylboronic acid, SBB071111, AC1NMBJO, ACMC-1BQKE, 1-Phenylvinylboronic acid,, SureCN101826, (1-Phenylvinyl)boronic acid, 571350_ALDRICH, A-PHENYLVINYLBORONIC ACID, CTK4C6003, STYRENE ALPHA-BORONIC ACID, MolPort-001-768-794, ACT03724, Boronic acid,B-(1-phenylethenyl)-, ANW-75450, (1-PHENYLETHENYL)BORONIC ACID, AKOS015840592, AB08051

Molecular Formula: C8H9BO2Molecular Weight: 147.966860 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: YJCPVMYUISTDKG-UHFFFAOYSA-N

• Anthranilic Acid
IUPAC Name: 2-aminobenzoic acid | CAS Registry Number: 118-92-3
Synonyms: anthranilic acid, 2-aminobenzoic acid, o-Carboxyaniline, o-aminobenzoic acid, vitamin L1, 2-Carboxyaniline, anthranilate, o-Anthranilic acid, Carboxyaniline, 2-aminobenzoate, Benzoic acid, 2-amino-, Vitamin L, Cupric anthranilate, o-Aminobenzoesaeure, AMINOBENZOIC ACID, 2-Aminobenzoesaeure, 2-Carboxyphenylamine, ortho-Aminobenzoic acid, Caswell No. 033G, 1-Amino-2-carboxybenzene

Molecular Formula: C7H7NO2Molecular Weight: 137.135980 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: RWZYAGGXGHYGMB-UHFFFAOYSA-N

• Atomoxetine HCL
IUPAC Name: (3R)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine hydrochloride | CAS Registry Number: 82248-59-7
Synonyms: Strattera, Atomoxetine hydrochloride, Strattera (TN), TOMOXETINE HYDROCHLORIDE, Ambap5639, C17H21NO.HCl, (R)-Tomoxetine hydrochloride, MLS001401377, MLS002153176, Atomoxetine hydrochloride [USAN], (R)-(-)-Tomoxetine hydrochloride, LY-139602 [(+)-isomer], Atomoxetine hydrochloride (JAN/USAN), tomoxetine hydrochloride, (-)-isomer, CPD000469177, LY139603, SAM001246626, SMR000469177, LS-177676, LY 139603

Molecular Formula: C17H22ClNOMolecular Weight: 291.815680 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: LUCXVPAZUDVVBT-UNTBIKODSA-N

• Benzofuran-2-boronic Acid
IUPAC Name: 1-benzofuran-2-ylboronic acid | CAS Registry Number: 98437-24-2
Synonyms: 2-Benzofuranboronic acid, Benzofuran-2-boronic acid, Benzofuran-2-ylboronic acid, Benzo[b]furan-2-boronic acid, 499943_ALDRICH, 1-benzofuran-2-ylboronic acid, 19, B1440G1, NCGC00092007-01, ST5407387, TL8007114, InChI=1/C8H7BO3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11

Molecular Formula: C8H7BO3Molecular Weight: 161.950380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: PKRRNTJIHGOMRC-UHFFFAOYSA-N

• Benzothiophene-3-boronic acid
IUPAC Name: 1-benzothiophen-3-ylboronic acid | CAS Registry Number: 113893-08-6
Synonyms: 1-benzothiophen-3-ylboronic acid, Benzo[b]thiophene-3-boronic acid, Thianaphthene-3-boronic acid, Benzo[b]thien-3-ylboronic acid, benzo[b]thiophen-3-ylboronic acid, 3-Boronobenzo[b]thiophene, 3-Borono-1-benzothiophene, 1-Benzothiophene-3-boronic acid, 1-Benzothiophen-3-Yl-Boranediol, zlchem 1190, AC1MCQWE, SureCN9024, ACMC-2099kb, 512117_ALDRICH, CHEMBL342173, benzo[b]thiophene3-boronic acid, CTK4A8503, ZLD0659, CHEBI:334878, MolPort-000-142-448

Molecular Formula: C8H7BO2SMolecular Weight: 178.015980 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: QVANIYYVZZLQJP-UHFFFAOYSA-N

• Betaine citrate
IUPAC Name: carboxymethyl(trimethyl)azanium; 2-hydroxypropane-1,2,3-tricarboxylic acid | CAS Registry Number: 17671-50-0
Synonyms: Betaina Manzoni, Betaina Manzoni (TN), D07525

Molecular Formula: C11H20NO9+Molecular Weight: 310.277800 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 9

InChIKey: YKXUOESQDCXGIW-UHFFFAOYSA-O

• Biphenyl-2-bronic acid
IUPAC Name: (2-phenylphenyl)boronic acid | CAS Registry Number: 4688-76-0
Synonyms: Biphenyl-2-boronic acid, 2-Biphenylboronic acid, Phenylboronic Acid, 16, 542202_ALDRICH, SBB005895, B1660G1, TL8003216

Molecular Formula: C12H11BO2Molecular Weight: 198.025540 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: HYCYKHYFIWHGEX-UHFFFAOYSA-N

• Biphenyl-3-boronic acid
IUPAC Name: (3-phenylphenyl)boronic acid | CAS Registry Number: 5122-95-2
Synonyms: 3-Biphenylboronic acid, Phenylboronic Acid, 5, 542199_ALDRICH, B1680G1, ST5405954, TL8003393

Molecular Formula: C12H11BO2Molecular Weight: 198.025540 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: GOXICVKOZJFRMB-UHFFFAOYSA-N

• Buntane-2-Boronic Acid
IUPAC Name: butan-2-ylboronic acid | CAS Registry Number: 88496-88-2
Synonyms: 2-Butylboronic acid, Buntane-2-boronic acid, sec-butylboronic acid, butan-2-ylboronic acid, Boronic acid, B-butyl-, n-Buntane-2-boronic acid, AGN-PC-00PPBD, 2-BUTANEBORONIC ACID, BUTANE-2-BORONIC ACID, N-BUTANE-2-BORONIC ACID, CTK6C6929, (BUTAN-2-YL)BORONIC ACID, Boronic acid, (1-methylpropyl)-, MolPort-001-770-807, ANW-39034, OR9318, AKOS015841873, AB25482, AG-A-38754, LS11154

Molecular Formula: C4H11BO2Molecular Weight: 101.939940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: MACOIFNUPFKZEI-UHFFFAOYSA-N

• Carbimazole
IUPAC Name: ethyl 3-methyl-2-sulfanylideneimidazole-1-carboxylate | CAS Registry Number: 22232-54-8
Synonyms: Athyromazole, Carbimazol, Neomercazole, Atirozidina, Carbotiroid, Basolest, Mertiran, Neo-Thyreostat, Neo-Mercazole, Carbimazol spofa, Neo-Tireol, Carbinazole, Thyrostat, Carbethoxymethimazole, Carbimazol henning, TYRAZOL, Prestwick_788, Carbimazole (INN), Carbimazolum [INN-Latin], Carbimazol henning (TN)

Molecular Formula: C7H10N2O2SMolecular Weight: 186.231500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: CFOYWRHIYXMDOT-UHFFFAOYSA-N

• Chlorthalidone
IUPAC Name: 2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide | CAS Registry Number: 77-36-1
Synonyms: chlorthalidone, Chlortalidone, Chlorothalidone, Chlorthalidon, Phthalamodine, Phthalamudine, Hygroton, Chlorphthalidone, Chlorphthalidolone, Natriuran, Saluretin, Thalitone, Zambesil, Igroton, Isoren, Oradil, Renon, Combipres, Hydro-Long, Oxodolin

Molecular Formula: C14H11ClN2O4SMolecular Weight: 338.766140 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: JIVPVXMEBJLZRO-UHFFFAOYSA-N

• Cibenzoline
IUPAC Name: 2-[2,2-di(phenyl)cyclopropyl]-4,5-dihydro-1H-imidazole | CAS Registry Number: 53267-01-9
Synonyms: Cifenline, Cipralan, Cifenline [USAN], Cibenzoline (INN), Cifenline (USAN), Cibenzolinum [INN-Latin], Cibenzolina [INN-Spanish], EINECS 258-453-7, C18H18N2, Ro 22-7796, Ro 227796, NCGC00162222-01, UP 33901, 2-(2,2-diphenylcyclopropyl)-2-imidazoline, LS-175436, (+-)-2-(2,2-Diphenylcyclopropyl)-2-imidazoline, D03492, 2-(2,2-diphenylcyclopropyl)-4,5-dihydro-1H-imidazole, 1H-Imidazole, 2-(2,2-diphenylcyclopropyl)-4,5-dihydro-, (+-)-

Molecular Formula: C18H18N2Molecular Weight: 262.348920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: IPOBOOXFSRWSHL-UHFFFAOYSA-N

• Cibenzoline succinate
IUPAC Name: butanedioic acid; 2-(2,2-diphenylcyclopropyl)-4,5-dihydro-1H-imidazole | CAS Registry Number: 57625-97-5
Synonyms: EINECS 260-856-8, LS-78458, 1H-Imidazole, 4,5-dihydro-2-(2,2-diphenylcyclopropyl)-, succinate (2:1), 2-(2,2-Diphenylcyclopropyl)-4,5-dihydro-1H-imidazole succinate (2:1), Butanedioic acid, compd. with 2-(2,2-diphenylcyclopropyl)-4,5-dihydro-1H-imidazole (1:2), Succinic acid, compound with 2-(2,2-diphenylcyclopropyl)-4,5-dihydro-1H-imidazole (1:2)

Molecular Formula: C40H42N4O4Molecular Weight: 642.785880 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: CWPXTCGHZPJPMI-UHFFFAOYSA-N

• cis-1,3-Diacetoxycyclohexane
IUPAC Name: [(1S,3R)-3-acetyloxycyclohexyl] acetate | CAS Registry Number: 832-09-7
Synonyms: SureCN2326051, CTK5F0473, AG-H-32384, 1,3-Cyclohexanediol,diacetate, cis- (8CI), 1,3-Cyclohexanediol,diacetate, (1R,3S)-rel- (9CI)

Molecular Formula: C10H16O4Molecular Weight: 200.231640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: PIAZUOCNDRREHF-AOOOYVTPSA-N

• Cis-1-Propene-1-Boronic Acid
IUPAC Name: [(Z)-prop-1-enyl]boronic acid | CAS Registry Number: 7547-96-8
Synonyms: cis-Propenylboronic acid, cis-1-Propene-1-boronic acid, NSC39118, PubChem6022, AC1NS7O3, 572179_ALDRICH, cis-1-Propen-1-ylboronic acid, (prop-1-en-1-yl)boronic acid, [(Z)-prop-1-enyl]boronic acid, MolPort-003-937-151, (Z)-Prop-1-en-1-ylboronic acid, NSC-39118, AKOS015836299, AK113913, KB-49074, X0977, B-5811, 6336-44-3

Molecular Formula: C3H7BO2Molecular Weight: 85.897480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: CBMCZKMIOZYAHS-IHWYPQMZSA-N

• Cyclohexylboronic Acid
IUPAC Name: cyclohexylboronic acid | CAS Registry Number: 4441-56-9
Synonyms: Cyclohexylboronic acid, Cyclohexaneboronic acid, Cyclohexyl boronic acid, Boronic acid, cyclohexyl-, 556580_ALDRICH, Boronic acid, cyclohexyl- (9CI), BRN 1921820, CID199578, LS-56500, TL8003096, 4-16-00-01653 (Beilstein Handbook Reference), T0503-8822

Molecular Formula: C6H13BO2Molecular Weight: 127.977220 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: XDRVAZAFNWDVOE-UHFFFAOYSA-N

• Cyclopentyl boronic acid
IUPAC Name: cyclopentylboronic acid | CAS Registry Number: 63076-51-7
Synonyms: Cyclopentylboronic acid, 588415_ALDRICH, C2400G1

Molecular Formula: C5H11BO2Molecular Weight: 113.950640 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: VTTDFSNKIMAQTB-UHFFFAOYSA-N

• Cyclopropylboronic Acid
IUPAC Name: cyclopropylboronic acid | CAS Registry Number: 411235-57-9
Synonyms: Cyclopropylboronic acid, Cyclopropyl Boronic Acid, cyclopropylboranediol, Cyclopropylboronicacid, AG-F-46218, cyclopropyl-boronic acid, Boronocyclopropane, CYPBA, PubChem4014, ACMC-1AMNO, SureCN9068, AC1MC3PW, 1-BORONOCYCLOPROPANE, KSC235O4H, CYCLOPROPANEBORONIC ACID, 597988_ALDRICH, CTK1D5743, B-CYCLOPROPYL-BORONIC ACID, QCR-242, MolPort-000-139-514

Molecular Formula: C3H7BO2Molecular Weight: 85.897480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: WLVKDFJTYKELLQ-UHFFFAOYSA-N

• Dexmethylphenidate hydrochloride
IUPAC Name: methyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate hydrochloride | CAS Registry Number: 19262-68-1
Synonyms: Focalin, Biphentin, Daytrana, Metadate, Ritalin, Focalin XR, MethyPatch, Metadate CD, Metadate ER, Metadate MR, Methylin ER, Equasym IR, Equasym XL, Ritalin LA, Ritalin QD, Focalin (TN), D-threo-Methylphenidate hydrochloride, METHYLPHENIDATE HYDROCHLORIDE, Dexmethylphenidate hydrochloride [USAN], ( )-threo-Methylphenidate hydrochloride

Molecular Formula: C14H20ClNO2Molecular Weight: 269.767100 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: JUMYIBMBTDDLNG-OJERSXHUSA-N

• Dibenzofuran-4-boronic acid
IUPAC Name: dibenzofuran-4-ylboronic acid | CAS Registry Number: 100124-06-9
Synonyms: 4-Dibenzofuranboronic acid, dibenzofuran-4-ylboronic acid, 499951_ALDRICH, ALBB-006105, SBB003426, D2420G1

Molecular Formula: C12H9BO3Molecular Weight: 212.009060 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: ZXHUJRZYLRVVNP-UHFFFAOYSA-N

• Dibenzothiophene-4-boronic acid
IUPAC Name: dibenzothiophen-1-ylboronic acid | CAS Registry Number: 108847-20-7
Synonyms: 4-Dibenzothiopheneboronic acid, D250

Molecular Formula: C12H9BO2SMolecular Weight: 228.074660 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: JJMKWIWQQJZXDP-UHFFFAOYSA-N

• Dibenzyl phosphate
IUPAC Name: bis(phenylmethyl) hydrogen phosphate | CAS Registry Number: 1623-08-1
Synonyms: Dibenzyl hydrogen phosphate, Dibenzylphosphoric acid, D36550_ALDRICH, MLS001061262, CID74189, EINECS 216-602-3, NCGC00090929-01, SMR001227194, D-1500

Molecular Formula: C14H15O4PMolecular Weight: 278.240261 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HDFFVHSMHLDSLO-UHFFFAOYSA-N

• Dibenzyl phosphate potassium salt
IUPAC Name: potassium;dibenzyl phosphate | CAS Registry Number: 78543-37-0
Synonyms: potassium dibenzyl phosphate, Potassiumdibenzylphosphate, SCHEMBL4956047, POTASSIUM DIPHENYLPHOSPHIDE, MTTPUPNRZRSDDM-UHFFFAOYSA-M, DB-009801

Molecular Formula: C14H14KO4PMolecular Weight: 316.330622 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: MTTPUPNRZRSDDM-UHFFFAOYSA-M

• Didanosine
IUPAC Name: 9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one | CAS Registry Number: 69655-05-6
Synonyms: didanosine, Videx, ddIno, DIDEOXYINOSINE, Videx EC, Hypoxanthine ddN, 2',3'-Dideoxyinosine, Intron A & Videx, Videx (TN), PC-SOD+ddI, LOA & ddI, ddI & IFN-.alpha., ddI + d4T combination, ddI & GM-CSF, DDI and rIFN.alpha.2, Didanosinum [INN-Latin], Inosine, 2',3'-dideoxy-, ddI & sCD4(rsCD4), Didanosina [INN-Spanish], 2'3'-DIDEOXYINOSINE

Molecular Formula: C10H12N4O3Molecular Weight: 236.227280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: BXZVVICBKDXVGW-NKWVEPMBSA-N

• Diethylamine Salicylate
IUPAC Name: diethylazanium; 2-hydroxybenzoate | CAS Registry Number: 4419-92-5
Synonyms: Algesal, Diethylammonium salicylate, DIETHYLAMINE SALICYLATE, CID20471, EINECS 224-586-4

Molecular Formula: C11H17NO3Molecular Weight: 211.257580 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: JGMKRAUEFASZKH-UHFFFAOYSA-N

• E-1-Octenylboronic acid
IUPAC Name: [(E)-oct-1-enyl]boronic acid | CAS Registry Number: 42599-16-6
Synonyms: (1E)-1-octenylboronic acid, 521027_ALDRICH, trans-1-Octen-1-ylboronic acid, O4840G1

Molecular Formula: C8H17BO2Molecular Weight: 156.030380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: RBTAJLKAPFBZDQ-BQYQJAHWSA-N

• Ethyl 2-(2,4-difluorophenyl)-6-chloronicotinate
IUPAC Name: ethyl 6-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate | CAS Registry Number: 745833-19-6
Synonyms: AG-G-96661, ethyl 6-chloro-2-(2,4-difluorophenyl)nicotinate, CTK5E0084, MolPort-009-199-477, ANW-66583, AKOS015904546, AK-39060, KB-51451, AB1006190, A838171, Ethyl 2-(2,4-difluorophenyl)-6-chloronicotinate;, I14-17091, 3-Pyridinecarboxylicacid, 6-chloro-2-(2,4-difluorophenyl)-, ethyl ester, 6-chloro-2-(2,4-difluorophenyl)-3-pyridinecarboxylic acid ethyl ester, ethyl 2-[2,4-bis(fluoranyl)phenyl]-6-chloranyl-pyridine-3-carboxylate

Molecular Formula: C14H10ClF2NO2Molecular Weight: 297.684506 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: JPJLYIZLSBBOKF-UHFFFAOYSA-N

• Ethyl 2-chloronicotinate
IUPAC Name: ethyl 2-chloropyridine-3-carboxylate | CAS Registry Number: 1452-94-4
Synonyms: ethyl 2-chloronicotinate, TPC-PY018, ZINC00164952, 2-Chloro-nicotinic acid ethyl ester, CID2796614, SB 02041, 54453-93-9

Molecular Formula: C8H8ClNO2Molecular Weight: 185.607620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: PMIMPBYTPPRBGD-UHFFFAOYSA-N

• Ethyl 4-(piperazin-1yl)benzoate
IUPAC Name: ethyl 4-piperazin-1-ylbenzoate | CAS Registry Number: 80518-57-6
Synonyms: 4-(Piperazin-1-yl)-benzoic acid ethyl ester

Molecular Formula: C13H18N2O2Molecular Weight: 234.294220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: OQEHTFFLOHTFSB-UHFFFAOYSA-N

• Ethyl 6-chloronicotinate
IUPAC Name: ethyl 6-chloropyridine-3-carboxylate | CAS Registry Number: 49608-01-7
Synonyms: 531197_ALDRICH, ZINC00166523, Ethyl 6-chloropyridine-3-carboxylate, CID2799611

Molecular Formula: C8H8ClNO2Molecular Weight: 185.607620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ILDJJTQWIZLGPO-UHFFFAOYSA-N

• Ethyl 6-Hydroxynicotinate
IUPAC Name: ethyl 6-oxo-1H-pyridine-3-carboxylate | CAS Registry Number: 18617-50-0
Synonyms: Ethyl 6-hydroxynicotinate, 6-Hydroxynicotinic acid, ethyl ester, NSC165477, ZINC00337050, TL8001504, ethyl 6-oxo-1,6-dihydro-3-pyridinecarboxylate, AP-402/41884914, 6-oxo-1,6-dihydropyridine-3-carboxylic acid ethyl ester

Molecular Formula: C8H9NO3Molecular Weight: 167.161960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YYNSXKLGLKOLQZ-UHFFFAOYSA-N

• Ethyl Salicylate
IUPAC Name: ethyl 2-hydroxybenzoate | CAS Registry Number: 118-61-6
Synonyms: Ethyl salicylate, Mesotol, Salotan, Sal ethyl, Salicylic ether, Sal ether, Salicylic ethyl ester, Salicylic acid, ethyl ester, Ethyl o-hydroxybenzoate, o-(Ethoxycarbonyl)phenol, Ethyl hydroxybenzoate, ETHYL 2-HYDROXYBENZOATE, Salicyclic acid, ethyl ester, Benzoic acid, 2-hydroxy-, ethyl ester, WLN: QR BVO2, FEMA No. 2458, W245801_ALDRICH, 112291_ALDRICH, NSC 8209, EINECS 204-265-5

Molecular Formula: C9H10O3Molecular Weight: 166.173900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GYCKQBWUSACYIF-UHFFFAOYSA-N

• Ferroceneboronic Acid
IUPAC Name: cyclopenta-1,3-diene; cyclopenta-1,3-dien-1-ylboronic acid; iron(2+) | CAS Registry Number: 12152-94-2
Synonyms: Ferrocenemetaboric acid, (dihydroxyboranyl)ferrocene, STK332032, CID82949, EINECS 235-272-1

Molecular Formula: C10H11BFeO2Molecular Weight: 229.849140 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: XCHXIPVWFCEEMB-UHFFFAOYSA-N

• Fexofenadine HCL
IUPAC Name: 2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid hydrochloride | CAS Registry Number: 153439-40-8
Synonyms: Allegra, Telfast, fexofenadine, Altiva, Allegra Flash, Allegra (TN), ALLEGRA-D, FEXOFENADINE HYDROCHLORIDE, Fexofenidine hydrochloride, MDL 16455 hydrochloride, C32H39NO4.HCl, MLS001306422, MLS001332493, MLS001332494, F9427_SIGMA, SPECTRUM1504179, Carboxyterfenadine hydrochloride, MDL 16,455A, Terfenadine carboxylate hydrochloride, Fexofenadine hydrochloride [USAN]

Molecular Formula: C32H40ClNO4Molecular Weight: 538.117300 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: RRJFVPUCXDGFJB-UHFFFAOYSA-N

• Fexofenadine hydrochloride
IUPAC Name: 2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid hydrochloride | CAS Registry Number: 138452-21-8
Synonyms: Allegra, Telfast, fexofenadine, Altiva, Allegra Flash, Allegra (TN), ALLEGRA-D, FEXOFENADINE HYDROCHLORIDE, Fexofenidine hydrochloride, MDL 16455 hydrochloride, C32H39NO4.HCl, MLS001306422, MLS001332493, MLS001332494, F9427_SIGMA, SPECTRUM1504179, Carboxyterfenadine hydrochloride, MDL 16,455A, Terfenadine carboxylate hydrochloride, Fexofenadine hydrochloride [USAN]

Molecular Formula: C32H40ClNO4Molecular Weight: 538.117300 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: RRJFVPUCXDGFJB-UHFFFAOYSA-N

• Flutamide
IUPAC Name: 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide | CAS Registry Number: 13311-84-7
Synonyms: flutamide, Eulexin, Niftolide, niftolid, Niftholide, Drogenil, Eulexine, Chimax, Flutandrona, Prostandril, Prostogenat, Flutacell, Flutamin, Flutaplex, Flutexin, Grisetin, NFBA, Prostacur, Prostica, Testotard

Molecular Formula: C11H11F3N2O3Molecular Weight: 276.211850 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: MKXKFYHWDHIYRV-UHFFFAOYSA-N

• Furan-3-boronic acid
IUPAC Name: furan-3-ylboronic acid | CAS Registry Number: 55552-70-0
Synonyms: 3-Furanboronic acid, 512168_ALDRICH, BM404, SBB004327

Molecular Formula: C4H5BO3Molecular Weight: 111.891700 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: CYEFKCRAAGLNHW-UHFFFAOYSA-N

• Furane-2-boronic Acid
IUPAC Name: furan-2-ylboronic acid | CAS Registry Number: 13331-23-2
Synonyms: 2-Furanboronic acid, Furan-2-boronic acid, 464910_ALDRICH, BM312, SBB004326

Molecular Formula: C4H5BO3Molecular Weight: 111.891700 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: PZJSZBJLOWMDRG-UHFFFAOYSA-N

• Glycol Salicylate
IUPAC Name: 2-hydroxyethyl 2-hydroxybenzoate | CAS Registry Number: 87-28-5
Synonyms: Espirosal, Norgesic, Phlogont, Rheumacyl, Spirosal, Sarocol, Glysal, Glykolsalicylat, Traumasenex, Kytta-gel, 2-Hydroxyethyl salicylate, Glycol monosalicylate, Monoglycol salicylate, GLYCOL SALICYLATE, Norgesic (TN), Phlogont (TN), Ethylene glycol monosalicylate, Aethylenglykolsalicylat, Ethylene glycol salicylate, Ethylene glycol, salicylate

Molecular Formula: C9H10O4Molecular Weight: 182.173300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: LVYLCBNXHHHPSB-UHFFFAOYSA-N

• Hexahydro-3(2H)-indolizinone
IUPAC Name: 2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one | CAS Registry Number: 71779-55-0
Synonyms: HEXAHYDRO-3(2H)-INDOLIZINONE, AG-G-81659, 1,2,3,4,5,6-hexahydro-(7H)-cyclopentapyridine-7-one, AC1O57IE, SureCN8561861, Hexahydroindolizin-3(2H)-one;, CTK0J9717, 3(2H)-Indolizinone, hexahydro-, AKOS006275540, KB-52410, FT-0695793, 2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one, 2740-00-3

Molecular Formula: C8H13NOMolecular Weight: 139.194920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: IZKATSCDUREBRD-UHFFFAOYSA-N

• Hexetidine
IUPAC Name: 1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-5-amine | CAS Registry Number: 141-94-6
Synonyms: hexetidine, Oraldene, Sterilate, Glypesin, Sterisil, Hexoral, Hextril, Triocil, Triscol, Elsix, Collu hextril, Duranil Aerosol, Drossadin, Oraseptic, Paradenyl, Collu-Hextril, Hexalen, Hexetidine [BAN], Steri/Sol, Steri/Sol (VAN)

Molecular Formula: C21H45N3Molecular Weight: 339.602100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: DTOUUUZOYKYHEP-UHFFFAOYSA-N

• Indole-4-boronic acid
IUPAC Name: 1H-indol-4-ylboronic acid | CAS Registry Number: 220465-43-0
Synonyms: I2051G1, TL8001829

Molecular Formula: C8H8BNO2Molecular Weight: 160.965620 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: USJUQEVUEBCLLR-UHFFFAOYSA-N

• indole-5-boronic Acid pinacol ester
IUPAC Name: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole | CAS Registry Number: 269410-24-4
Synonyms: 578835_ALDRICH, 5-Indoleboronic acid pinacol ester, BM090, Indole-5-boronic acid pinacol ester, 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

Molecular Formula: C14H18BNO2Molecular Weight: 243.109220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FATPQDPUKVVCLT-UHFFFAOYSA-N

• Indole-6-boronic acid
IUPAC Name: 1H-indol-6-ylboronic acid | CAS Registry Number: 147621-18-9
Synonyms: 6-Indoleboronic acid, 666459_ALDRICH, I2107G1

Molecular Formula: C8H8BNO2Molecular Weight: 160.965620 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: ZVMHOIWRCCZGPZ-UHFFFAOYSA-N

• Indole-6-boronic acid pinacolate
IUPAC Name: 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole | CAS Registry Number: 642494-36-8
Synonyms: Indole-6-boronic acid pinacol ester, 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole, Indole-6-boronicacidpinacolester, Indole-6-boronic acid, pinacol ester, PubChem23558, SureCN13718, CTK8B3119, MolPort-002-041-536, ANW-41798, AKOS015950894, PB27777, AK-77116, KB-44243, AB1005668, A8818, AM20040947, 1H-INDOLE-6-BORONIC ACID PINACOL ESTER, 3-hydroxy-2,3-dimethylbutan-2-yl hydrogen 1H-indol-6-ylboronate, 1H-INDOLE, 6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-

Molecular Formula: C14H18BNO2Molecular Weight: 243.109220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: VNDFXJNIKZCQRY-UHFFFAOYSA-N

• Iodomethane
IUPAC Name: iodomethane | CAS Registry Number: 74-88-4
Synonyms: Methyl iodide, IODOMETHANE, Methane, iodo-, Monoiodomethane, Methyliodide, Methyljodid, Jod-methan, Monoiodmethan, Iodometano, Joodmethaan, Methyliodid, Methyljodide, Iodmethan, Metylu jodek, 5-Iodoisatin, Iodure de methyle, Joodmethaan [Dutch], Iodometano [Italian], Methyljodid [German], Methyljodide [Dutch]

Molecular Formula: CH3IMolecular Weight: 141.938990 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: INQOMBQAUSQDDS-UHFFFAOYSA-N

• Isochroman
IUPAC Name: 3,4-dihydro-1H-isochromene | CAS Registry Number: 493-05-0
Synonyms: Isochromane, 1H-2-Benzopyran, 3,4-dihydro-, 3,4-Dihydro-1H-isochromene, I15807_ALDRICH, 3,4-dihydro-1H-2-benzopyran, CHEBI:33225, NSC63362, EINECS 207-774-0, ZINC01691582, SB 01207, InChI=1/C9H10O/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4H,5-7H

Molecular Formula: C9H10OMolecular Weight: 134.175100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: HEBMCVBCEDMUOF-UHFFFAOYSA-N

• Isopropylboronic Acid
IUPAC Name: propan-2-ylboronic acid | CAS Registry Number: 80041-89-0
Synonyms: Isopropylboronic acid, propan-2-ylboronic acid, 648787_ALDRICH, TF5039, TL8005400

Molecular Formula: C3H9BO2Molecular Weight: 87.913360 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: QIPHSSYCQCBJAX-UHFFFAOYSA-N

• Isoquinolin-5-ylboronic acid hydrochloride
IUPAC Name: isoquinolin-5-ylboronic acid | CAS Registry Number: 371766-08-4
Synonyms: Isoquinoline-5-boric acid, 5-Isoquinolineboronic acid, CID599474, I3970G1

Molecular Formula: C9H8BNO2Molecular Weight: 172.976320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: XKEYHBLSCGBBGU-UHFFFAOYSA-N


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