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Synthèse AptoChem Inc.

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Profile: Synthese AptoChem Inc. specializes in the custom synthesis of stable labeled and radiolabeled reference standards, test articles, pharmaceuticals & their metabolites. We synthesize a wide variety of small molecules and fine chemicals in the milligram to gram scale. Our custom synthesis services include stable labeled compounds, radiolabeled compounds, active pharmaceutical ingredients, drug metabolites and pharmaceutical impurities & analogs. Our products include atorvastatin lactone, beclomethasone 17-monopropionate, benazeprilate, carboxyterfenadine hydrochloride, carboxyterfenadine, carebastine, cilazaprilat, ciprofloxacin-piperazinyl-n-sulfate, clevidipine metabolite and clopidogrelat.

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• Desipramine
IUPAC Name: 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine | CAS Registry Number: 50-47-5
Synonyms: desipramine, Norimipramine, Desimipramine, Dezipramine, Desipramin, Desmethylimipramine, Norpramine, Demethylimipramine, Dimethylimipramine, desipraminum, Monodemethylimipramine, Desimpramine, Desipramina, Pertofrane, Pertofran, Sertofran, Desipramine Hcl, Desipramine (D4), DMI (pharmaceutical), Imipramine, demethyl-

Molecular Formula: C18H22N2Molecular Weight: 266.380680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HCYAFALTSJYZDH-UHFFFAOYSA-N

• Desonide
Synonyms: DESONIDE, Verdeso, DesOwen, Desowen (TN), Verdeso (TN), Desonide (USAN/INN), DB01260, TL8004516, D03696

Molecular Formula: C24H32O6Molecular Weight: 416.507280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: WBGKWQHBNHJJPZ-LECWWXJVSA-N

• Dexamethasone
IUPAC Name: (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one | CAS Registry Number: 50-02-2
Synonyms: dexamethasone, Dexamethazone, Decadron, Maxidex, Desametasone, Desamethasone, Prednisolone F, Deltafluorene, Mediamethasone, Cortisumman, Dexadeltone, Dexapolcort, Fortecortin, Gammacorten, Hexadecadrol, Millicorten, Superprednol, Visumetazone, Aphtasolon, Decaspray

Molecular Formula: C22H29FO5Molecular Weight: 392.461063 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: UREBDLICKHMUKA-CXSFZGCWSA-N

• Dextromethorphan
Synonyms: dextromethorphan, d-Methorphan, delta-Methorphan, Dextromorphan, Levomethorphan, Delsym, l-Methorphan, RACEMETHORPHAN, Dextromethorfan [Czech], Destrometerfano [DCIT], Dextromethorphan (USP), Prestwick0_000359, Prestwick1_000359, Prestwick2_000359, Prestwick3_000359, Lopac-D-2531, Dextromethorphan polistirex, HSDB 3056, Dextrometorfano [INN-Spanish], ( )-3-Methoxy-N-methylmorphinon

Molecular Formula: C18H25NOMolecular Weight: 271.397200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MKXZASYAUGDDCJ-NJAFHUGGSA-N

• Dichlofenac Acid
IUPAC Name: 2-[2-(2,6-dichloroanilino)phenyl]acetic acid | CAS Registry Number: 15307-86-5
Synonyms: diclofenac, Diclofenac acid, dichlofenac, Diclophenac, Pennsaid, Dichlofenal, Dicrofenac, Novapirina, Orthofen, Orthophen, Voltaren, Voltarol, Feloran, Ortofen, ProSorb-D, Diclonate P, Diclofenac sodium, Sodium diclofenac, Diclofenac potassium, Spectrum_000930

Molecular Formula: C14H11Cl2NO2Molecular Weight: 296.148640 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: DCOPUUMXTXDBNB-UHFFFAOYSA-N

• Diltiazem
IUPAC Name: [(2S,3S)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate | CAS Registry Number: 42399-41-7
Synonyms: diltiazem, d-cis-Diltiazem, Dilcontin, Dilticard, Endrydil, Anoheal, Acalix, Dilzen, Dilta-Hexal, Cardizem, Cardizem LA, Aldizem, Cardil, Dilren, Dilzem, Incoril AP, Dilacor XR, Diltiazem hydrochloride, Diltiazemum [INN-Latin], Tocris-0685

Molecular Formula: C22H26N2O4SMolecular Weight: 414.517840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: HSUGRBWQSSZJOP-RTWAWAEBSA-N

• Dimenhydrinate
IUPAC Name: 2-benzhydryloxy-N,N-dimethylethanamine; 8-chloro-1,3-dimethyl-7H-purine-2,6-dione | CAS Registry Number: 523-87-5
Synonyms: Chloranautine, Diphenhydrinate, Menhydrinate, Andramine, Aviomarin, DIMENHYDRINATE, Dimentabs, Dramamine, Hydrinate, Teodramin, Travelmin, Troversin, Anautine, Diamarin, Dimenest, Dramalen, Dramamin, Dramarin, Dramilin, Eldodram

Molecular Formula: C24H28ClN5O3Molecular Weight: 469.963820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: NFLLKCVHYJRNRH-UHFFFAOYSA-N

• Dipyridamole
IUPAC Name: 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol | CAS Registry Number: 58-32-2
Synonyms: dipyridamole, Dipyridamine, Dipyridamol, Persantine, Dipyudamine, Persantin, Curantyl, Kurantil, Stimolcardio, Cardioflux, Stenocardil, Cardoxin, Anginal, Apricor, Coribon, Corosan, Coroxin, Stenocardiol, Chilcolan, Dipyridan

Molecular Formula: C24H40N8O4Molecular Weight: 504.625600 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 12

InChIKey: IZEKFCXSFNUWAM-UHFFFAOYSA-N

• Docetaxel
Synonyms: docetaxel, Taxotere, Docetaxol, Docetaxel anhydrous, nchembio853-comp8, Docetaxel, Trihydrate, nchembio.2007.34-comp7, 01885_FLUKA, XRP-6976L, ANX-514, SDP-014, DB01248, NSC-628503, RP-56976, SL-00678, C11231, TXL, (2alpha,5beta,7beta,10beta,13alpha)-4-(acetyloxy)-13-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl (aR,bS)-b-[[(1,1-dimethylethoxy)carbonyl]amino]-a-hydroxybenzenepropanoate

Molecular Formula: C43H53NO14Molecular Weight: 807.879220 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 14

InChIKey: ZDZOTLJHXYCWBA-VCVYQWHSSA-N

• Dolasetron Free Base
Synonyms: dolasetron, Dolasetronum, Dolasetronum [INN-Latin], Dolasetron [INN:BAN], UNII-82WI2L7Q6E, HSDB 7565, C19H20N2O3, CID60654, DB00757, LS-172300, 1H-Indole-3-carboxylic acid, octahydro-3-oxo-2,6-methano-2H-quinolizin-8-yl ester, (2alpha,6alpha,8alpha,9abeta)-

Molecular Formula: C19H20N2O3Molecular Weight: 324.373700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: UKTAZPQNNNJVKR-DBBXXEFVSA-N

• Donepezil
IUPAC Name: 5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methyl]-2,3-dihydroinden-1-one | CAS Registry Number: 120014-06-4
Synonyms: donepezil, Aricept, Spectrum_001664, Donepezil [INN:BAN], Spectrum5_001662, Oprea1_188452, KBioSS_002144, C24H29NO3, KBio2_002144, KBio2_004712, KBio2_007280, CID3152, DB00843, NCGC00167537-01, LS-81819, SL-00730, TL8000531, 1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-((1-(phenylmethyl)-4-piperidinyl)methyl)-, 1-BENZYL-4-((5,6-DIMETHOXY-1-INDANON)-2-YL)-METHYLPIPERIDINE HYDROCHLORIDE,DL-, 5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methyl]-2,3-dihydroinden-1-one

Molecular Formula: C24H29NO3Molecular Weight: 379.491960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: ADEBPBSSDYVVLD-UHFFFAOYSA-N

• Dorzolamide HCL
IUPAC Name: (4R,6R)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide hydrochloride | CAS Registry Number: 130693-82-2
Synonyms: Trusopt, Cosopt, dorzolamide, Mixture Name, DORZOLAMIDE HYDROCHLORIDE, Dorzolamide hydrochloride [USAN], C10H16N2O4S3.HCl, MK 0507, MK-0507, MK 507, MK-507, LS-152562, L 671152, L-671,152, (4S,6S)-4-(Ethylamino)-5,6-dihydro-6-methyl-4H-thieno(2,3-b)thiopyran-2-sulfonamide 7,7-dioxide, monohydrochloride, 4H-Thieno(2,3-b)thiopyran-2-sulfonamide, 4-(ethylamino)-5,6-dihydro-6-methyl-, 7,7-dioxide, monohydrochloride, (4S-trans)-, 4H-Thieno(2,3-b)thiopyran-2-sulfonamide, 5,6-dihydro-4-(ethylamino)-6-methyl-, 7,7-dioxide, monohydrochloride, (4S,6S)-, 4-ethylamino-5,6-dihydro-6-methyl-7,7-dioxide-4H-thieno(2,3-b)thiopyran-2-sulfonamide, 5,6-dihydro-4-ethylamino-6-methyl-4H-thieno(2,3-b)thiopyran-2-sulfonamide-7,7-dioxide

Molecular Formula: C10H17ClN2O4S3Molecular Weight: 360.900980 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: OSRUSFPMRGDLAG-CIRBGYJCSA-N

• Doxazosin
IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-2-yl)methanone | CAS Registry Number: 74191-85-8
Synonyms: doxazosin, Carduran, Cardura, Doxazosin mesylate, Doxazosine [French], Doxazosinum [Latin], Doxazosina [Spanish], Doxazosin [INN:BAN], Prestwick0_000858, Prestwick1_000858, Prestwick2_000858, Prestwick3_000858, ChemDiv2_005017, Lopac0_000474, Oprea1_259518, BSPBio_000875, D9815_SIGMA, SPBio_002796, BPBio1_000963, CHEBI:4708

Molecular Formula: C23H25N5O5Molecular Weight: 451.475100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 9

InChIKey: RUZYUOTYCVRMRZ-UHFFFAOYSA-N

• Droperidol
IUPAC Name: 3-[1-[4-(4-fluorophenyl)-4-oxobutyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one | CAS Registry Number: 548-73-2
Synonyms: droperidol, Droleptan, Innovar, Properidol, Sintodril, Sintosian, Inapsine, Vetkalm, Dridol, Halkan, Inapsin, Inopsin, Dehydrobenzperidol, Deidrobenzperidolo, Thalamanol, Thalamonal, Leptanal, Leptofen, Inappin, Innovan

Molecular Formula: C22H22FN3O2Molecular Weight: 379.427383 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: RMEDXOLNCUSCGS-UHFFFAOYSA-N

• Drospirenone
Synonyms: Dehydrospirorenone, Dihydrospirorenone, Yasmin, 1,2-Dihydrospirorenone, Drospirenone [INN], DRSP, 1,2-dihydro-spirorenone, Drospirenonum [INN-Latin], Drospirenona [INN-Spanish], 1, 2-Dihydrospirorenone, Drospirenone (USAN/INN), CCRIS 6523, CHEBI:50838, EINECS 266-679-2, ZK 30595, C24H30O3, ZK30595, BRN 4765500, SH-470, DB01395

Molecular Formula: C24H30O3Molecular Weight: 366.493200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: METQSPRSQINEEU-HXCATZOESA-N

• Dutasteride
IUPAC Name: (1S,3aS,3bS,5aR,9aR,11aS)-N-[2,5-bis(trifluoromethyl)phenyl]-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide | CAS Registry Number: 164656-23-9
Synonyms: Avodart, Dutasteride [USAN], C27H30F6N2O2, GG 745, DB01126, GI 198745, LS-173584, (5alpha,17beta)-N-(2,5-Bis(trifluoromethyl)phenyl)-3-oxo-4-azaandrost-1-ene-17-carboxamide, alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxy-2',5'-xylidide, (1S,3aS,3bS,5aR,9aR,11aS)-N-[2,5-bis(trifluoromethyl)phenyl]-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide, 1H-Indeno(5,4-f)quinoline-7-carboxamide, N-(2,5-bis(trifluoromethyl)phenyl)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-, (4aR,4bS,6aS,7S,9aS,9bS,11aR)-

Molecular Formula: C27H30F6N2O2Molecular Weight: 528.529719 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: JWJOTENAMICLJG-VYZSUTEISA-N

• Ebastine
IUPAC Name: 1-(4-tert-butylphenyl)-4-[4-[di(phenyl)methoxy]piperidin-1-yl]butan-1-one | CAS Registry Number: 90729-43-4
Synonyms: ebastine, Kestine, Ebastel, Estivan, Evastel, Bactil, Bastel, Kestin, Ebastinum [Latin], No-Sedat, Ebastina [Spanish], Kestine (TN), Ebastine [USAN:INN], Ebastine (JAN/USAN/INN), LAS W-090, STOCK6S-48249, C32H39NO2, LAS-W-090, RP 64305, NCGC00164603-01

Molecular Formula: C32H39NO2Molecular Weight: 469.657560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: MJJALKDDGIKVBE-UHFFFAOYSA-N

• Econazole
IUPAC Name: 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole | CAS Registry Number: 27220-47-9
Synonyms: econazole, Ecostatin, Palavale, Pevaryl, Ifenec, Gyno-pevaryl, (+-)-Econazole, Gyno-Pevaryl 150, Spectrum_001223, Econazole (USAN/INN), Prestwick0_000304, Prestwick1_000304, Prestwick2_000304, Prestwick3_000304, Spectrum2_001439, Spectrum3_001467, Spectrum4_000446, Spectrum5_001033, BSPBio_000268, BSPBio_002993

Molecular Formula: C18H15Cl3N2OMolecular Weight: 381.683500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: LEZWWPYKPKIXLL-UHFFFAOYSA-N

• Efavirenz
IUPAC Name: (4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one | CAS Registry Number: 154598-52-4
Synonyms: efavirenz, Sustiva, Stocrin, 1ikv, 1ikw, Strocin (TM), Sustiva (TM), Sustiva (TN), efavirenz, (S)-isomer, Efavirenz (JAN/INN), C14H9ClF3NO2, DMP-266, HSDB 7163, MLS000759465, MLS001424087, DMP 266, Met-SDF-1.beta. & Efavirenz, AIDS032934, AIDS106821, AIDS-032934

Molecular Formula: C14H9ClF3NO2Molecular Weight: 315.674970 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: XPOQHMRABVBWPR-ZDUSSCGKSA-N

• Eletriptan
IUPAC Name: 3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-(2-phenylsulfonylethyl)-1H-indole | CAS Registry Number: 143322-58-1
Synonyms: Relpax, Eletriptan [INN:BAN], CHEBI:50922, CID77993, DB00216, UK 116044, NCGC00181130-01, LS-186998, LS-187637, UK-116044, UK-116044-04, 1H-Indole, 3-(((2R)-1-methyl-2-pyrrolidinyl)methyl)-5-(2-(phenylsulfonyl)ethyl)ethyl)-, 3-(((R)-1-Methyl-2-pyrrolidinyl)methyl)-5-(2-(phenylsulfonyl)ethyl)indole, 3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-(2-phenylsulfonylethyl)-1H-indole, 3-{[(2R)-1-methylpyrrolidin-2-yl]methyl}-5-[2-(phenylsulfonyl)ethyl]-1H-indole

Molecular Formula: C22H26N2O2SMolecular Weight: 382.519040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: PWVXXGRKLHYWKM-LJQANCHMSA-N

• Emtricitabine
IUPAC Name: 4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one | CAS Registry Number: 143491-57-0
Synonyms: Emtriva, Coviracil, Racivir, Truvada, Mixture Name, dOTFC, Emtriva (TN), (-)-FTC, 2-FTC, (-)-.beta.-L-FTC, BW524W91, C8H10FN3O3S, DRG-0208, Emtricitabine (JAN/USAN/INN), HSDB 7337, 2'-Deoxy-5-fluoro-3'-thiacytidine, BW 524W91, BW-524W91, FTC, (-)-, AIDS004782

Molecular Formula: C8H10FN3O3SMolecular Weight: 247.246703 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: XQSPYNMVSIKCOC-NTSWFWBYSA-N

• Enalapril
IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid | CAS Registry Number: 75847-73-3
Synonyms: enalapril, Spectrum_001307, Prestwick3_000314, Spectrum2_001455, Spectrum3_001478, Spectrum4_000008, Spectrum5_001107, BSPBio_000308, BSPBio_003035, KBioGR_000355, KBioSS_001787, DivK1c_000408, SPBio_001349, BPBio1_000340, KBio1_000408, KBio2_001787, KBio2_004355, KBio2_006923, KBio3_002535, NINDS_000408

Molecular Formula: C20H28N2O5Molecular Weight: 376.446720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: GBXSMTUPTTWBMN-XIRDDKMYSA-N

• Enalaprilat
IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid | CAS Registry Number: 76420-72-9
Synonyms: Enalaprilate, Enalapril acid, ENALAPRILAT INHIBITOR, MLS000759476, MLS001424138, CID5462501, NCGC00164593-01, CPD000466359, SAM001246684, SMR000466359, LS-187219, C11720, EAL, 1-((2S)-2-{[(1S)-1-CARBOXY-3-PHENYLPROPYL]AMINO}PROPANOYL)-L-PROLINE

Molecular Formula: C18H24N2O5Molecular Weight: 348.393560 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: LZFZMUMEGBBDTC-QEJZJMRPSA-N

• Epiestradiol
IUPAC Name: (8R,9S,13S,14S,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol | CAS Registry Number: 57-91-0
Synonyms: Alfatradiol, alpha-Estradiol, estradiol, 17alpha-Estradiol, Estradiol-17alpha, 17-alpha-Estradiol, 17alpha estradiol, .alpha.-Estradiol, Alfatradiol (INN), nchembio775-comp6, 17.alpha.-Estradiol, nchembio.106-comp4, 17.alpha.-Oestradiol, Oestradiol-17.alpha., Estradiol, 17.alpha.-, 3,17-Dihydroxyestratriene, UPCMLD-DP131, KBioGR_002281, KBioSS_002282, E8750_SIGMA

Molecular Formula: C18H24O2Molecular Weight: 272.381960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: VOXZDWNPVJITMN-SFFUCWETSA-N

• Eplerenone
Synonyms: Epoxymexrenone, Inspra, Selara, Inspra (TN), Eplerenone (JAN/USAN/INN), CHEBI:31547, CGP-30083, NCGC00159559-01, NCGC00159559-02, SC-66110, TL8000270, C12512, D01115, 7alpha-methoxycarbonyl-3-oxo-9,11alpha-epoxy-17alpha-pregn-4-ene-21,17-carbolactone

Molecular Formula: C24H30O6Molecular Weight: 414.491400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: JUKPWJGBANNWMW-VWBFHTRKSA-N

• Epristeride
IUPAC Name: (8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3-carboxylic acid | CAS Registry Number: 119169-78-7
Synonyms: Ono-9302, Epristeride [USAN:BAN:INN], Epristeride (JAN/USAN/INN), ONO 9302, C25H37NO3, SKF 105657, CID68741, SK&F-105657, SK&F 105657, LS-19325, D01134, 17-beta-N-t-Butylcarboxamide-androst-3,5-diene-3-carboxylic acid, 17beta-(tert-Butylcarbamoyl)androsta-3,5-diene-3-carboxylic acid, 17-N-t-butylcarboxamide androst-3,5-diene-3-carboxylic acid, (17-beta)-17-(((1,1-Dimethylethyl)amino)carbonyl)androsta-3,5-diene-3-carboxylic acid, Androsta-3,5-diene-3-carboxylic acid, 17-(((1,1-dimethylethyl)amino)carbonyl)-, (17beta)-, Androsta-3,5-diene-3-carboxylic acid, 17-(((1,1-dimethylethyl)amino)carbonyl)-, (17-beta)-

Molecular Formula: C25H37NO3Molecular Weight: 399.566180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: VAPSMQAHNAZRKC-PQWRYPMOSA-N

• Eprosartan
IUPAC Name: 4-[[2-butyl-5-[(E)-3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoic acid | CAS Registry Number: 133040-01-4
Synonyms: Teveten, Eprosartan (USAN/INN), Eprosartan [USAN:BAN:INN], CHEBI:4814, STOCK6S-51357, C23H24N2O4S, SK&F 108566, CID5281037, SKF-108566, SK&F-108566, NCGC00164557-01, (4-carboxybenzyl)imidazole-5-acrylic acid, LS-172855, TL8000785, C07467, D04040, (E)-2-Butyl-1-(p-carboxybenzyl)-alpha-2-thenylimidazole-5-acrylic acid, 2-Thiophenepropanoic acid, alpha-((2-butyl-1-((4-carboxyphenyl)methyl)-lH-imidazol-5-yl)methylene)-, (E)-, 4-({2-butyl-5-[(1E)-2-carboxy-3-(2-thienyl)prop-1-en-1-yl]-1H-imidazol-1-yl}methyl)benzoic acid, (E)-3-[2-n-butyl-1-{(4-carboxyphenyl)methyl}-1H-imidazol-5-yl]-2-(2-thienyl)methyl-2-propenoic acid

Molecular Formula: C23H24N2O4SMolecular Weight: 424.512660 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: OROAFUQRIXKEMV-LDADJPATSA-N

• Ergoloid Mesylates
Synonyms: Prestwick_746, DIHYDROERGOTOXINE, Dihydroergotoxine mesylate, MLS002153175, Dihydroergotamine methanesulfonate salt, DB01287, SMR001230668

Molecular Formula: C34H41N5O8SMolecular Weight: 679.783040 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 10

InChIKey: ADYPXRFPBQGGAH-WVVAGBSPSA-N

• Erythromycin
IUPAC Name: (2R,3R,4S,5R,8R,9S,10S,11R,12R,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5-ethyl-3,4,12-trihydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6-oxacyclotetradecane-1,7-dione | CAS Registry Number: 114-07-8
Synonyms: erythromycin, Erythromycin A, Abomacetin, Erymax, Emgel, erythro, Erythrocin, Ilotycin, Staticin, Eryacne, Erygel, Akne-Mycin, Erythromycin oxime, E-Mycin, Erythrocin stearate, T-Stat, Staticin (TN), Akne-mycin (TN), Prestwick_205, Erygel (TN)

Molecular Formula: C37H67NO13Molecular Weight: 733.926780 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 14

InChIKey: ULGZDMOVFRHVEP-RWJQBGPGSA-N

• Estradiol
IUPAC Name: (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol | CAS Registry Number: 50-28-2
Synonyms: estradiol, beta-Estradiol, 17beta-Estradiol, Estrace, progynon, Dihydroxyestrin, Oestradiol, Diogynets, Aquadiol, Dihydrofolliculin, Divigel, Vagifem, Diogyn, Dihydrotheelin, Oestroglandol, Dimenformon, Estraldine, Follicyclin, Gynoestryl, Perlatanol

Molecular Formula: C18H24O2Molecular Weight: 272.381960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: VOXZDWNPVJITMN-ZBRFXRBCSA-N

• Estrone
IUPAC Name: (8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one | CAS Registry Number: 53-16-7
Synonyms: estrone, folliculin, Theelin, Cristallovar, Crinovaryl, Aquacrine, Crystogen, Destrone, estrovarin, Endofolliculina, Disynformon, Estrugenone, Follestrine, Folliculine, Follicunodis, Glandubolin, Hormofollin, Hormovarine, Ketodestrin, Oestroperos

Molecular Formula: C18H22O2Molecular Weight: 270.366080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: DNXHEGUUPJUMQT-CBZIJGRNSA-N

• Ethambutol Hydrochloride
IUPAC Name: (2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol dihydrochloride | CAS Registry Number: 1070-11-7
Synonyms: Myambutol, Dadibutol, Ethambutol HCL, Myambutol (TN), Ethambutol dihydrochloride, CCRIS 6606, SPECTRUM1500288, C10H24N2O2.2HCl, EINECS 213-970-7, Ethambutol hydrochloride [USAN:JAN], DRG-0111, CL 40881, Ethambutol hydrochloride (JP15/USP), LS-46541, D00878, (+)-2,2'-(Ethylenediimino)-di-1-butanol dihydrochloride, (S-(R*,R*))-2,2'-(Ethylenediimino)dibutan-1-ol dihydrochloride, 1-BUTANOL, 2,2'-(ETHYLENEDIIMINO)DI-, DIHYDROCHLORIDE, (+)-, 1-Butanol, 2,2'-(1,2-ethanediyldiimino)bis-, dihydrochloride, (S-(R*,R*))-, 1-Butanol, 2,2'-(1,2-ethanediyldiimino)bis-, dihydrochloride, (R-(R*,R*))-

Molecular Formula: C10H26Cl2N2O2Molecular Weight: 277.231640 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 4

InChIKey: AUAHHJJRFHRVPV-BZDVOYDHSA-N

• Ethinyl Estradiol
IUPAC Name: (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol | CAS Registry Number: 57-63-6
Synonyms: ethinyl estradiol, Ethynylestradiol, Ethinyloestradiol, Estinyl, Etinoestryl, Etistradiol, Ethinoral, Eticyclin, Eticyclol, Etinestrol, Etinestryl, Follicoral, Ginestrene, Novestrol, Orestralyn, Spanestrin, Amenoron, Dyloform, Estorals, Feminone

Molecular Formula: C20H24O2Molecular Weight: 296.403360 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: BFPYWIDHMRZLRN-SLHNCBLASA-N

• Etoposide
IUPAC Name: (5R,5aR,8aR,9S)-9-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5-(4-hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one | CAS Registry Number: 33419-42-0
Synonyms: etoposide, VePesid, Lastet, trans-Etoposide, Zuyeyidal, Toposar, (-)-Etoposide, Vepesid J, Vepeside, Eposide, Etopol, Etosid, Etoposide (VP16), Etoposidum [INN-Latin], EPEG, Etoposido [INN-Spanish], VP 16 (pharmaceutical), Ambap1061, Etopophos (phosphate salt), VePESID (TN)

Molecular Formula: C29H32O13Molecular Weight: 588.556580 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 13

InChIKey: VJJPUSNTGOMMGY-MRVIYFEKSA-N

• Exemestane
IUPAC Name: (8R,9S,10R,13S,14S)-10,13-dimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione | CAS Registry Number: 107868-30-4
Synonyms: EXEMESTANE, Aromasin, Aromasil, Aromasine, Nikidess, Aromasin (TN), Exemestanum [INN-Latin], Exemestano [INN-Spanish], Ambap3895, Curator_000009, Fce 24304, Exemestane [USAN:INN:BAN], Exemestane (JAN/USP/INN), Pharmacia brand of exemestane, MLS000759419, MLS001424062, FCE-24304, HSDB 7463, Pharmacia Spain brand of exemestane, C20H24O2

Molecular Formula: C20H24O2Molecular Weight: 296.403360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BFYIZQONLCFLEV-DAELLWKTSA-N

• Ezetimibe
IUPAC Name: (3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one | CAS Registry Number: 163222-33-1
Synonyms: Zetia, Vytorin, Ezedoc, Ezetrol, Zient, Mixture Name, Zetia (TN), Ezetimibe [USAN:INN], Sch 58235, Ezetimibe (JAN/USAN/INN), MLS000759443, MLS001424125, CHEBI:49040, (-)-Sch 58235, CID150311, SCH-58235, DB00973, MK-0653, CPD000466334, SAM001246623

Molecular Formula: C24H21F2NO3Molecular Weight: 409.425246 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: OLNTVTPDXPETLC-XPWALMASSA-N

• Famciclovir
IUPAC Name: [2-(acetyloxymethyl)-4-(2-aminopurin-9-yl)butyl] acetate | CAS Registry Number: 104227-87-4
Synonyms: famciclovir, Famvir, Oravir, Famvir (TN), Spectrum_000466, Famciclovirum [INN-Latin], Anti-Farnesyl Rabbit pAb, Spectrum2_001101, Spectrum3_001675, Spectrum4_000611, Spectrum5_001548, Famciclovir [USAN:BAN:INN], BSPBio_003489, KBioGR_001162, KBioSS_000946, MLS000759505, MLS001424115, SPECTRUM1505201, SPBio_001202, BRL 42810

Molecular Formula: C14H19N5O4Molecular Weight: 321.331760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 9

InChIKey: GGXKWVWZWMLJEH-UHFFFAOYSA-N

• Fenofibrate
IUPAC Name: propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate | CAS Registry Number: 49562-28-9
Synonyms: fenofibrate, Lipantil, Tricor, Procetofen, Lipanthyl, Triglide, Lipidil, Secalip, Antara, Finofibrate, Proctofene, Lipoclar, Fenogal, Lipirex, Sedufen, Phenofibrate, Elasterate, Procetofene, Protolipan, Elasterin

Molecular Formula: C20H21ClO4Molecular Weight: 360.831340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: YMTINGFKWWXKFG-UHFFFAOYSA-N

• Fenofibric Acid
IUPAC Name: 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid | CAS Registry Number: 42017-89-0
Synonyms: Fenofibric acid, Procetofenic acid, alpha 1081, LF 178 acid, alpha-1081, CCRIS 7302, C17H15ClO4, EINECS 255-626-9, LF 153, NSC 281318, CID64929, BRN 2058973, NSC281318, LS-121251, 2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic acid, 2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic acid, Propanoic acid, 2-(4-(4-chlorobenzoyl)phenoxy)-2-methyl-, 2-methyl-((4'-4-chlorobenxoly)-2-phenoxy)propionic acid, 2-methyl-((4'-p-chlorobenzoyl)-2-phenoxy)propionic acid, 2-{4-[(4-chlorophenyl)carbonyl]phenoxy}-2-methylpropanoic acid

Molecular Formula: C17H15ClO4Molecular Weight: 318.751600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: MQOBSOSZFYZQOK-UHFFFAOYSA-N

• Fexofenadine
IUPAC Name: 2-[4-[1-hydroxy-4-[4-[hydroxy-di(phenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid | CAS Registry Number: 83799-24-0
Synonyms: fexofenadine, Carboxyterfenadine, Terfenadine-COOH, Fexofendine, Terfenadine carboxylate, Terfenadine acid metabolite, Spectrum_001914, Spectrum2_001179, Spectrum3_001921, Spectrum4_000204, Spectrum5_001474, Fexofenadine [INN:BAN], FEXOFENADINE HYDROCHLORIDE, Lopac0_000488, BSPBio_003521, KBioGR_000807, KBioSS_002456, SPBio_001197, C32H39NO4, HSDB 7486

Molecular Formula: C32H39NO4Molecular Weight: 501.656360 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: RWTNPBWLLIMQHL-UHFFFAOYSA-N

• Finasteride
IUPAC Name: (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide | CAS Registry Number: 98319-26-7
Synonyms: finasteride, Propecia, Proscar, Chibro-Proscar, Finastid, Prostide, Finpecia, Eucoprost, Propeshia, Andozac, Prodel, Chibro Proscar, Propecia (TN), Proscar (TN), Finasteridum [INN-Latin], Finasterida [INN-Spanish], Finasteride (USP/INN), Prestwick0_000717, Prestwick1_000717, Prestwick2_000717

Molecular Formula: C23H36N2O2Molecular Weight: 372.544140 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: DBEPLOCGEIEOCV-WSBQPABSSA-N

• Flavoxate
IUPAC Name: 2-piperidin-1-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate | CAS Registry Number: 15301-69-6
Synonyms: flavoxate, Urispas, Bladderon, Peflate, Spasmal, Flavoxate HCI, Flavoxate HCL, Flavossato [DCIT], Spasuret hydrochloride, Flavoxate hydrochloride, Flavoxatum [INN-Latin], DW 61 (flavoxate), Flavoxato [INN-Spanish], Flavoxate [INN:BAN], Prestwick0_000242, Prestwick1_000242, Prestwick2_000242, Prestwick3_000242, Oprea1_293788, BSPBio_000024

Molecular Formula: C24H25NO4Molecular Weight: 391.459600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: SPIUTQOUKAMGCX-UHFFFAOYSA-N

• Fluconazole
IUPAC Name: 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol | CAS Registry Number: 86386-73-4
Synonyms: fluconazole, Triflucan, Diflucan, Biozolene, Elazor, Biocanol, Fungata, Zonal, Alflucoz, Flucazol, Flukezol, Flunizol, Oxifugol, Pritenzol, Afungil, Cryptal, Dimycon, Fluzone, Canzol, Forcan

Molecular Formula: C13H12F2N6OMolecular Weight: 306.270786 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 9

InChIKey: RFHAOTPXVQNOHP-UHFFFAOYSA-N

• Flunarizine
IUPAC Name: 1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine | CAS Registry Number: 52468-60-7
Synonyms: flunarizine, Sibelium, Flunarizin, Flunarizina, Flunarizinum, Flunarizine dihydrochloride, Flunarizinum [INN-Latin], Flunarizina [INN-Spanish], flunarizine hydrochloride, Flunarizine [INN:BAN], Prestwick2_000312, Prestwick3_000312, Spectrum5_001570, Lopac0_000527, BSPBio_000304, BSPBio_001341, BSPBio_003096, Bio-0741, BPBio1_000336, BCBcMAP01_000120

Molecular Formula: C26H26F2N2Molecular Weight: 404.494846 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: SMANXXCATUTDDT-QPJJXVBHSA-N

• Fluocinolone
IUPAC Name: (6S,8S,9R,10S,11S,13S,14S,16R,17S)-6,9-difluoro-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one | CAS Registry Number: 807-38-5
Synonyms: fluocinolone, 6-alpha-Fluorotriamcinolone, EINECS 212-362-9, CID91488, LS-118445, C07006, 6-alpha,9-Difluoro-11-beta,16-alpha-17,21-tetrahydroxypregna-1,4-diene-3,20-dione, Pregna-1,4-diene-3,20-dione, 6-alpha,9-difluoro-11-beta,16-alpha,17,21-tetrahydroxy-, 6-alpha,9-alpha-Difluoro-11-beta,16-alpha,17-alpha,21-tetrahydroxypregna-1,4-diene-3,20-dione

Molecular Formula: C21H26F2O6Molecular Weight: 412.424346 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: UUOUOERPONYGOS-CLCRDYEYSA-N

• Fluocinonide
Synonyms: fluocinonide, Fluocinolide, Lidex, Vanos, Bestasone, Biscosal, Cortalar, Flucinar, Straderm, Topsymin, Metosyn, Fluzon, Topsyn, Synalar acetate, Fluocinolide acetate, Lidex E, Fluocinonide FAPG, Prestwick_1066, Vanos (TN), Fluocinonidum [INN-Latin]

Molecular Formula: C26H32F2O7Molecular Weight: 494.524886 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 9

InChIKey: WJOHZNCJWYWUJD-IUGZLZTKSA-N

• Fluorometholone
IUPAC Name: (6S,8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one | CAS Registry Number: 426-13-1
Synonyms: fluorometholone, Fluormetholone, Oxylone, Flumetholon, Cortilet, Delmeson, Trilcin, Fluoromethalone, FML Liquifilm, Fluormetholonum, Fluor-Op, Neo-Oxylone, Fluormetholon, FML-S Liquifilm, FML Forte, Mixture Name, Prestwick_227, Oxylone (TN), Fluorometolone [DCIT], Fluor-op (TN)

Molecular Formula: C22H29FO4Molecular Weight: 376.461663 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: FAOZLTXFLGPHNG-KNAQIMQKSA-N

• Fluoxetine
IUPAC Name: N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine | CAS Registry Number: 54910-89-3
Synonyms: fluoxetine, Pulvules, Portal, Eufor, Prozac, Animex-On, Floxetine, Fluoxetin, Deprex, Fluval, Fluoxetine Hcl, Fluoxetina [Spanish], Fluoxetine (TN), fluoxetine (Prozac), Fluoxetinum [INN-Latin], Fluoxetina [INN-Spanish], (+/-)-Fluoxetine, Spectrum_001679, SpecPlus_000723, Fluoxetine (USAN/INN)

Molecular Formula: C17H18F3NOMolecular Weight: 309.326130 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: RTHCYVBBDHJXIQ-UHFFFAOYSA-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

• Fluticasone Propionate
IUPAC Name: [(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate | CAS Registry Number: 80474-14-2
Synonyms: Cutivate, Flonase, Flovent, Flixonase, Flixotide, Flusonal, Fluspiral, Flunase, Flutide, atemur, Flutivate, Fluxonal, Inalacor, Rinosone, Trialona, Asmatil, Axotide, Brethal, Fluinol, Skyron

Molecular Formula: C25H31F3O5SMolecular Weight: 500.570850 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: WMWTYOKRWGGJOA-CENSZEJFSA-N


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