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Topharman Shanghai Co Ltd

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Address: Building 1, No.388 Jialilue Road, Zhangjiang Hitech Park, Pudong, Shanghai 201203, China
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Profile: Topharman Shanghai Co Ltd manufactures active pharmaceutical intermediates. Our product includes bumetanide, adapalene, ambazone, aminocarb, antazolin, bicifadine and delavirdine. We also provide doxazosin, exalamide, fenoxazoline, fluoxetine, tegaserod, zaleplon and zoledronic acid.

101 to 150 of 885 Products/Chemicals (Click for related suppliers)  Page: << Previous 50 Results 1 2 [3] 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 >> Next 50 Results
• Cephalomannine
Synonyms: Taxol B, MLS001097651, C4991_SIGMA, CID5281819, NCGC00165771-01, SMR000578097, C10579

Molecular Formula: C45H53NO14Molecular Weight: 831.900620 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 14

InChIKey: DBXFAPJCZABTDR-UJLUYDJNSA-N

• Cepharanthine
Synonyms: CEPHARANTHINE, Cepharanthin, Cepharantin, (+)-Cepharanthine, O-Methylcepharanoline, Cepharanthine [JAN], Cepharanthine (TN), Cepharanthine (JAN), Spectrum2_000832, Spectrum3_001963, UPCMLD-DP054, CCRIS 6539, BSPBio_003563, MLS000728518, SPECTRUM1505322, SPBio_000783, UPCMLD-DP054:001, KBio3_002909, AIDS080398, BB_NC-1037

Molecular Formula: C37H38N2O6Molecular Weight: 606.707420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: YVPXVXANRNDGTA-WDYNHAJCSA-N

• Cetirizine
IUPAC Name: 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid | CAS Registry Number: 83881-51-0
Synonyms: cetirizine, Cetryn, Ziptek, Setir, Cetiderm, Virlix, Zirtek, Zyrtec, Cetrizine Hcl, Cetirizinum [Latin], Cetirizina [Spanish], Hitrizin Film Tablet, Cetiderm (TN), Cetirizine (INN), nchembio714-comp3, Cetirizine [INN:BAN], Prestwick0_000503, Prestwick1_000503, Prestwick2_000503, Prestwick3_000503

Molecular Formula: C21H25ClN2O3Molecular Weight: 388.887800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: ZKLPARSLTMPFCP-UHFFFAOYSA-N

• Cetirizine dihydrochloride
IUPAC Name: 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid dihydrochloride | CAS Registry Number: 83881-52-1
Synonyms: Zyrtec, Reactine, Alertisin, Cetriler, Formistin, Ressital, Salvalerg, Stopaler, Alercet, Alergex, Cetrine, Cetzine, Setiral, Zyrzine, Alerid, Riztec, Virdos, Zirtin, Cezin, Ryzen

Molecular Formula: C21H27Cl3N2O3Molecular Weight: 461.809680 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: PGLIUCLTXOYQMV-UHFFFAOYSA-N

• Chelerythrine
IUPAC Name: 1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium | CAS Registry Number: 34316-15-9
Synonyms: chelerythrine, Toddalin, Toddaline, Chelerythrine chloride, Helleritrine hydroxide, Chelerythrine hydroxide, nchembio873-comp36, Chelerythrinium hydroxide, Chelerythrine aurichloride, Lopac-C-2932, Benzophenanthridine alkaloid, Lopac0_000241, BSPBio_001558, 478-03-5 (hydroxide), MEGxp0_001953, 3895-92-9 (chloride), C21H18NO4, EINECS 251-930-0, CID2703, CHEBI:111199

Molecular Formula: C21H18NO4+Molecular Weight: 348.371920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: LLEJIEBFSOEYIV-UHFFFAOYSA-N

• Chenodeoxycholic acid
IUPAC Name: (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid | CAS Registry Number: 474-25-9
Synonyms: Chenodiol, chenodeoxycholic acid, Chenix, Chenic acid, Chendol, Cdca, Chenofalk, Chenodeoxycholate, Chenorm, Henohol, Gallodesoxycholic acid, Chenique Acid, Anthropodeoxycholic acid, Chenodesoxycholic acid, Chenodiol [USAN], Anthropodesoxycholic acid, Chendeoxycholic Acid, Chenodiol (USAN), Sodium chenodeoxycholate, Anthropododesoxycholic acid

Molecular Formula: C24H40O4Molecular Weight: 392.572000 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: RUDATBOHQWOJDD-BSWAIDMHSA-N

• Cholest-5-en-3-ol (3ß)-, 3-(4-methylbenzenesulfonate)
IUPAC Name: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-methylbenzenesulfonate | CAS Registry Number: 1182-65-6
Synonyms: Cholesteryl tosylate, Cholesterol 3-tosylate, Cholesteryl p-toluenesulfonate, Cholesteryl p-toluenesulphonate, Cholesterol, p-toluenesulfonate, 3.beta.-Tosyloxycholest-5-ene, NSC132807, NSC134905, Cholest-5-en-3-ol (3.beta.)-, 4-methylbenzenesulfonate

Molecular Formula: C34H52O3SMolecular Weight: 540.839880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: RNZDACWUXZHQMI-UHFFFAOYSA-N

• Cholic Acid
IUPAC Name: (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid | CAS Registry Number: 81-25-4
Synonyms: cholic acid, cholate, Cholalin, Colalin, Cholalic acid, Cholsaeure, Chenodiol, ursocholic acid, Cholanic acid, chenodeoxycholic acid, Cholan-24-oic acid, Cholic acid (8CI), SODIUM CHOLATE, Cholic acid, 5beta-, Spectrum5_002005, MLS001066422, C1129_SIGMA, C9377_SIGMA, NSC6135, CID303

Molecular Formula: C24H40O5Molecular Weight: 408.571400 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: BHQCQFFYRZLCQQ-OELDTZBJSA-N

• Chrysin
IUPAC Name: 5,7-dihydroxy-2-phenylchromen-4-one | CAS Registry Number: 480-40-0
Synonyms: chrysin, Chrysine, 5,7-Dihydroxyflavone, Crysin, Galangin flavanone, 5,7-diOH-Flavone, 5,7-dihydroxy-flavone, Spectrum_000245, Prestwick0_000889, Prestwick1_000889, Prestwick2_000889, Prestwick3_000889, Spectrum2_000753, Spectrum3_001399, Spectrum4_000780, Spectrum5_001503, FLAVONE, 5,7-DIHYDROXY-, Oprea1_045160, BSPBio_000678, BSPBio_002514

Molecular Formula: C15H10O4Molecular Weight: 254.237500 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: RTIXKCRFFJGDFG-UHFFFAOYSA-N

• Chrysophanol
IUPAC Name: 1,8-dihydroxy-3-methylanthracene-9,10-dione | CAS Registry Number: 481-74-3
Synonyms: CHRYSOPHANIC ACID, Turkey rhubarb, 3-Methylchrysazin, Crysophanic acid, Crysophanol, Chrysophansaeure, nchembio805-comp1, 1,8-Dihydroxy-3-methylanthraquinone, C.I. Natural Yellow 23, Spectrum_000792, SpecPlus_000321, Spectrum2_000043, Spectrum3_001183, Spectrum4_001477, Spectrum5_000153, 4,5-Dihydroxy-2-methylanthraquinone, CCRIS 3525, BSPBio_002825, KBioGR_002053, KBioSS_001272

Molecular Formula: C15H10O4Molecular Weight: 254.237500 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: LQGUBLBATBMXHT-UHFFFAOYSA-N

• Cimetidine
IUPAC Name: (5-methyl-1H-imidazol-4-yl)methanol hydrochloride | CAS Registry Number: 38585-62-5
Synonyms: 227420_ALDRICH, EINECS 254-021-7, 4-Methylimidazol-5-ylmethanolhydrochloride, 4-Methyl-5-imidazolemethanol hydrochloride, T5614881

Molecular Formula: C5H9ClN2OMolecular Weight: 148.590760 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: UBHDUFNPQJWPRQ-UHFFFAOYSA-N

• Cinchonine
IUPAC Name: (S)-[(4S,5R,7R)-5-ethenyl-1-azabicyclo[2.2.2]octan-7-yl]-quinolin-4-ylmethanol | CAS Registry Number: 118-10-5
Synonyms: cinchonine, D-Cinchonine, (+)-Cinconine, Ambap3525, Prestwick3_000608, BSPBio_000516, MLS002153907, Cinchonan-9-ol, (9S)-, BPBio1_000568, MEGxp0_001905, ACon0_001352, ACon1_000336, NSC6176, AIDS002698, AIDS-002698, Quinoline alkaloid;.alpha.-Quinidine, NCGC00169174-01, NCGC00169174-02, NCI60_005298, SMR001233256

Molecular Formula: C19H22N2OMolecular Weight: 294.390780 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KMPWYEUPVWOPIM-QAMTZSDWSA-N

• Cinnamic acid
IUPAC Name: (E)-3-phenylprop-2-enoic acid | CAS Registry Number: 621-82-9
Synonyms: CINNAMIC ACID, TRANS-CINNAMIC ACID, Phenylacrylic acid, Zimtsaeure, Cinnamylic acid, trans-Cinnamate, 3-Phenylacrylic acid, (E)-Cinnamic acid, Benzenepropenoic acid, trans-Zimtsaeure, Acidum cinnamylicum, t-Cinnamic acid, Benzylideneacetic acid, (E)-cinnamate, 3-Phenylpropenoic acid, trans-3-Phenylacrylic acid, Zimtsaeure [German], Benzeneacrylic acid, Cinnamic acid, (E)-, trans-beta-Carboxystyrene

Molecular Formula: C9H8O2Molecular Weight: 148.158620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WBYWAXJHAXSJNI-VOTSOKGWSA-N

• CIS-(+/-)-4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENAMINE
IUPAC Name: (1R,4R)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine | CAS Registry Number: 91797-58-9
Synonyms: SureCN4781834, NAP006, CTK5H0490, AG-H-77086, Naphthalenamine, 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-, (1R,4R)-, (1R,4R)-4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDRONAPHTHALEN-1-AMINE, 755752-66-0

Molecular Formula: C16H15Cl2NMolecular Weight: 292.203000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: SRPXSILJHWNFMK-BDJLRTHQSA-N

• Citalopram
IUPAC Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile | CAS Registry Number: 59729-33-8
Synonyms: citalopram, Nitalapram, Cytalopram, Cipram, Escitalopram, Citadur, Lexapro, [3H]Citalopram, Citadur (TN), Citalopram [Celexa], Citalopramum [INN-Latin], citalopram hydrobromide, Citalopram (USP/INN), Citalopram [BAN:INN], Citalopram [INN:BAN], Prestwick3_000692, Lopac0_000258, BSPBio_000843, BPBio1_000929, C20H21FN2O

Molecular Formula: C20H21FN2OMolecular Weight: 324.391943 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: WSEQXVZVJXJVFP-UHFFFAOYSA-N

• Clinodiside A
IUPAC Name: 2-[[4,5-dihydroxy-6-[[8-hydroxy-5,8a-bis(hydroxymethyl)-5,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | CAS Registry Number: 916347-31-4
Synonyms: Buddlejasaponin centob, N1207

Molecular Formula: C48H78O19Molecular Weight: 959.121520 [g/mol]
H-Bond Donor: 13H-Bond Acceptor: 19

InChIKey: HVRAMEAUCOTBHH-UHFFFAOYSA-N

• Colchicine
IUPAC Name: N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide | CAS Registry Number: 64-86-8
Synonyms: colchicine, Colchicina, Colchicin, Colsaloid, Condylon, Colchineos, Colchisol, Colcin, Colchicinum, spindle poison, ColBenemid, 7alphaH-Colchicine, Colstat, Col-Probenecid, Mixture Name, Colchicine [JAN], Proben-C, Colchicin [German], (S)-colchicine, Colchicine (TN)

Molecular Formula: C22H25NO6Molecular Weight: 399.437000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: IAKHMKGGTNLKSZ-INIZCTEOSA-N

• Cordycepin
IUPAC Name: (2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol | CAS Registry Number: 73-03-0
Synonyms: 3'-Deoxyadenosine, Cordycepine, 9-Cordyceposidoadenine, ADENOSINE, 3'-DEOXY-, 2'-OH-3'-dA erythro, CCRIS 3233, MLS001066343, C3394_SIGMA, CHEBI:29014, EINECS 200-791-4, CID6303, 9-(beta-D-3'-Deoxyribofuranosyl)adenine, AIDS000980, C10H13N5O3, NSC 401022, NSC 627047, AIDS-000980, BRN 0035194, CPD-10129, NSC627047

Molecular Formula: C10H13N5O3Molecular Weight: 251.241920 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: OFEZSBMBBKLLBJ-BAJZRUMYSA-N

• Corynoline
Synonyms: ( )-Corynoline, CID177014

Molecular Formula: C21H21NO5Molecular Weight: 367.395140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: IQUGPRHKZNCHGC-TYPHKJRUSA-N

• Costunolide
IUPAC Name: (3aS,6E,10E,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one | CAS Registry Number: 553-21-9
Synonyms: STOCK1N-49769, AIDS059915, AIDS-059915, NSC106404, CID5281437, C09382, Cyclodeca[b]furan-2(3H)-one, 3a,4,5,8,9,11a-hexahydro-6,10-dimethyl-3-methylene-, (3aS,6E,10E,11aR)-

Molecular Formula: C15H20O2Molecular Weight: 232.318100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HRYLQFBHBWLLLL-AHNJNIBGSA-N

• Crocin
IUPAC Name: bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate | CAS Registry Number: 42553-65-1
Synonyms: Saffron, alpha-Crocin, Gardenia Yellow, Crocin 1, Crocetin digentiobiose ester, CCRIS 678, Crocetin bis(gentiobiosyl) ester, CCRIS 7705, EINECS 255-881-6, BRN 6473367, CID5281233, NCGC00160471-01, LS-59589, LS-71090, all-trans-Crocetin di-beta-D-gentiobiosyl ester, LS-190763, C08589, Bis(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl) 8,8'-diapo-psi,psi-carotenedioate, 11012-59-2, 8,8'-Diapo-psi,psi-carotenedioic acid, bis(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl) ester

Molecular Formula: C44H64O24Molecular Weight: 976.964560 [g/mol]
H-Bond Donor: 14H-Bond Acceptor: 24

InChIKey: SEBIKDIMAPSUBY-RTJKDTQDSA-N

• Crocin II
IUPAC Name: 1-O-[(2S,3R,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl] 16-O-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate | CAS Registry Number: 55750-84-0
Synonyms: N1652

Molecular Formula: C37H52O19Molecular Weight: 800.797380 [g/mol]
H-Bond Donor: 11H-Bond Acceptor: 19

InChIKey: LTZHIERHVJWUQC-YRLGASPVSA-N

• Crustecdysone
IUPAC Name: (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one | CAS Registry Number: 5289-74-7
Synonyms: Ecdysterone, beta-Ecdysone, Polypodine A, Isoinokosterone, Viticosterone, Commisterone, Crustecdyson, Ecdysteron, 20-HYDROXYECDYSONE, 20-OH ecdysone, ECDYSONE, Insect moulting hormone, THE-7, MLS001164644, H5142_SIGMA, CHEBI:16587, AIDS013374, AIDS-013374, NSC629484, ZINC04165898

Molecular Formula: C27H44O7Molecular Weight: 480.634060 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 7

InChIKey: NKDFYOWSKOHCCO-YPVLXUMRSA-N

• Curcumenol
Synonyms: NSC682343, AIDS148942, AIDS-148942, CID387977, GPN000957, NCI60_029451, C16942, 6H-3a,6-Epoxyazulen-6-ol, 1,2,3,4,5,8a-hexahydro-3,8-dimethyl-5-(1-methylethylidene)-

Molecular Formula: C15H22O2Molecular Weight: 234.333980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ISFMXVMWEWLJGJ-UHFFFAOYSA-N

• Curcumin
IUPAC Name: (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione | CAS Registry Number: 458-37-7
Synonyms: curcumin, Diferuloylmethane, Turmeric yellow, Kacha haldi, Natural yellow 3, Curcumin I, Gelbwurz, Hydrastis, Turmeric, Curcuma, Souchet, Haldar, Haidr, Halad, Halud, Indian turmeric, Indian saffron, Yellow puccoon, Merita earth, Golden seal

Molecular Formula: C21H20O6Molecular Weight: 368.379900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: VFLDPWHFBUODDF-FCXRPNKRSA-N

• CYCLANOLINE
IUPAC Name: (7S,13aS)-3,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,9-diol | CAS Registry Number: 18556-27-9
Synonyms: Cissamine, Cyclanoline, CID3082134, 6H-Dibenzo(a,g)quinolizinium, 5,8,13,13a-tetrahydro-2,9-dihydroxy-3,10-dimethoxy-7-methyl-, (7S-cis)-

Molecular Formula: C20H24NO4+Molecular Weight: 342.408860 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: LKLWVKCEYSPQHL-KKSFZXQISA-O

• Cyclohexanecarboxylic Acid, 4-(4-Chlorophenyl)-, Trans-
IUPAC Name: 4-(4-chlorophenyl)cyclohexane-1-carboxylic acid | CAS Registry Number: 49708-81-8
Synonyms: 4-(4-Chlorophenyl)cyclohexanecarboxylic acid, 95233-37-7, trans-4-(4-Chlorophenyl)cyclohexanecarboxylic acid, 4-(4-chlorophenyl)cyclohexane-1-carboxylic Acid, (E)-4-(4-chlorophenyl)cyclohexanecarboxylic acid, SBB064225, (E)-4-(4-Chloro-phenyl)cyclohexanecarboxylic acid, PubChem22103, SureCN637532, SureCN918204, AC1MC44G, Oprea1_374119, SureCN12905598, CYC008, CYC066, CTK1D5701, CTK3I6608, MolPort-000-146-232, MolPort-002-857-414, ACT06715

Molecular Formula: C13H15ClO2Molecular Weight: 238.710000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NXXDIEYTMQYWJU-UHFFFAOYSA-N

• CYCLOHEXANOL,4-(4-CHLOROPHENYL)-,TRANS-
IUPAC Name: 4-(4-chlorophenyl)cyclohexan-1-ol | CAS Registry Number: 98322-65-7
Synonyms: 930766-09-9, SureCN11212374, CYC010, CTK5H2077, 4-(4'-Chlorophenyl)cyclohexanol, 4-(4-chlorophenyl)-1-cyclohexanol, 4-(4-chlorophenyl)cyclohexan-1-ol, ZINC35636708, AKOS015914851, AG-H-80729, 4-(4-CHLORO-PHENYL)-CYCLOHEXANOL, Cyclohexanol, 4-(4-chlorophenyl)-, trans-, FT-0656370, ST51054412, A844437, I14-6925

Molecular Formula: C12H15ClOMolecular Weight: 210.699900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: LKOIMBDVTMGGHH-UHFFFAOYSA-N

• Cyclohexanone, 4-(4-chlorophenyl)-
IUPAC Name: 4-(4-chlorophenyl)cyclohexan-1-one | CAS Registry Number: 14472-80-1
Synonyms: 4-(4-Chlorophenyl)cyclohexanone, 4-(4-chlorophenyl)cyclohexan-1-one, SureCN3536658, AGN-PC-001ZF9, CYC011, 4-(p-Chlorophenyl)cyclohexanone, CTK8E4576, 4-(4'-Chlorophenyl)cyclohexanone, 4-(4-chlorophenyl)-1-cyclohexanone, ZINC34330426, AKOS015890365, AG-D-88045, AS04540, RL01808, AK-44329, KB-71549, FT-0652777, ST51052138, A808274, I01-6859

Molecular Formula: C12H13ClOMolecular Weight: 208.684020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: JNBOVWFOTNYTES-UHFFFAOYSA-N

• Cyclohexyl 1-chloroethylcarbonate
IUPAC Name: 1-chloroethyl cyclohexyl carbonate | CAS Registry Number: 99464-83-2
Synonyms: 1-Chloroethyl Cyclohexyl Carbonate, 1-chloroethylcyclohexyl carbonate, Carbonic Acid 1-Chloroethyl Cyclohexyl Ester, PubChem16784, ACMC-209scq, SureCN654885, KSC486M7T, AGN-PC-004U78, CTK3I6679, ONZWFHWHTYZZLM-UHFFFAOYSA-, MolPort-003-987-506, ANW-41016, SBB070776, AKOS015840877, AB17043, AG-I-01740, BD23363, RL06129, CYCLOHEXYL 1-CHLOROETHYLCARBONATE, AK-86219

Molecular Formula: C9H15ClO3Molecular Weight: 206.666600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ONZWFHWHTYZZLM-UHFFFAOYSA-N

• CYCLOPENTANONE,2-(1-HYDROXYPENTYL)-
IUPAC Name: 2-(1-hydroxypentyl)cyclopentan-1-one | CAS Registry Number: 42558-01-0
Synonyms: EINECS 255-882-1, Cyclopentanone, 2-(1-hydroxypentyl)-, 2-(1-hydroxypentyl)cyclopentanone, 2-(1-Hydroxypentyl)cyclopentan-1-one, CID162060, LS-195507

Molecular Formula: C10H18O2Molecular Weight: 170.248720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: DYVAUIYAEICDNS-UHFFFAOYSA-N

• CYCLOPENTANONE,2-PENTYLIDENE-
IUPAC Name: 2-pentylidenecyclopentan-1-one | CAS Registry Number: 16424-35-4
Synonyms: Pentylidene-2-cyclopentanone, 2-Pentylidenecyclopentan-1-one, Cyclopentanone, 2-pentylidene-, CID86000, EINECS 240-477-4, ZINC01867704

Molecular Formula: C10H16OMolecular Weight: 152.233440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: YZKUNNFZLUCEET-UHFFFAOYSA-N

• Cyclovirobuxine D
Synonyms: Cyclovirobuxine-D, Ambap6281, NSC91722

Molecular Formula: C26H46N2OMolecular Weight: 402.656240 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: GMNAPBAUIVITMI-ABNIRSKTSA-N

• Daidzein
IUPAC Name: 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one | CAS Registry Number: 486-66-8
Synonyms: daidzein, Daidzeol, Diadzein, Isoaurostatin, 4',7-Dihydroxyisoflavone, 7,4'-Dihydroxyisoflavone, Daidzein (6CI), nchembio.76-comp16, Spectrum_000255, Tocris-1417, BiomolKI_000060, Spectrum2_000053, Spectrum3_000191, Spectrum4_001964, Spectrum5_000857, Lopac-D-7802, BiomolKI2_000066, UPCMLD-DP052, CCRIS 7600, Lopac0_000412

Molecular Formula: C15H10O4Molecular Weight: 254.237500 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: ZQSIJRDFPHDXIC-UHFFFAOYSA-N

• Daidzin
IUPAC Name: 3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one | CAS Registry Number: 552-66-9
Synonyms: Daidzoside, Daidzein 7-glucoside, Daidzein-7-glucoside, Daidzein 7-O-glucoside, Ambap7584, 4',7-Dihydroxyisoflavone, daidzein 7-O-beta-D-glucoside, nchembio.2007.28-comp34, MEGxp0_000530, 7-O-B-D-GLUCOPYRANOSIDE, 30408_FLUKA, ACon1_002092, CHEBI:42202, BRN 0059741, Daidzein-7-O-beta-D-glucopyranoside, CID107971, NCGC00163532-01, NCGC00179839-01, LS-39679, C10216

Molecular Formula: C21H20O9Molecular Weight: 416.378100 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 9

InChIKey: KYQZWONCHDNPDP-QNDFHXLGSA-N

• Daphnetin
IUPAC Name: 7,8-dihydroxychromen-2-one | CAS Registry Number: 486-35-1
Synonyms: daphnetin, Daphnetol, 7,8-Dihydroxycoumarin, 7,8-dihydroxy-coumarin, SpecPlus_000864, Spectrum3_000784, Spectrum4_001254, Lopac-D-5564, 78-DIHYDROXYCOUMARIN, Lopac0_000330, Oprea1_044324, BSPBio_002488, KBioGR_001808, D5564_SIGMA, DivK1c_006960, 7,8-Dihydroxy-2H-1-benzopyran-2-one, C9H6O4, COUMARIN, 7,8-DIHYDROXY-, CHEBI:17313, EINECS 207-632-8

Molecular Formula: C9H6O4Molecular Weight: 178.141540 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: ATEFPOUAMCWAQS-UHFFFAOYSA-N

• Daphnoretin
IUPAC Name: 7-hydroxy-6-methoxy-3-(2-oxochromen-7-yl)oxychromen-2-one | CAS Registry Number: 2034-69-7
Synonyms: Thymelol, TimTec1_001767, Oprea1_038414, MLS000574856, MLS000728531, MLS001048954, Bio-0323, AIDS071129, NSC 291852, AIDS-071129, C19H12O7, TNP00178, BRN 1299325, NSC291852, ZINC00689683, CID5281406, NCGC00017271-01, NCGC00142383-01, LS-55218, SMR000156224

Molecular Formula: C19H12O7Molecular Weight: 352.294380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: JRHMMVBOTXEHGJ-UHFFFAOYSA-N

• Dauricine
IUPAC Name: 4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenol | CAS Registry Number: 524-17-4
Synonyms: Dauricine (8CI), NSC 36413, CHEBI:4331, AIDS012035, C38H44N2O6, AIDS-012035, CID73400, NSC36413, LS-105139, C09419, Phenol, 4-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)-2-(4-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)-, (R-(R*,R*))-, 4-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)-2-(4-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)phenol, 4-{[(1R)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2-(4-{[(1R)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}phenoxy)phenol, Phenol, 4-[[(1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]-2-[4-[[(1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]-

Molecular Formula: C38H44N2O6Molecular Weight: 624.765760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: AQASRZOCERRGBL-ROJLCIKYSA-N

• Dehydroandrographolide
IUPAC Name: 3-[2-[(1S,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]furan-2-one | CAS Registry Number: 134418-28-3
Synonyms: CTK0H4403, 2(3H)-Furanone, 3-[2-[(1S,4aS,5R,6R,8aS)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]-, (3E)-, AG-D-70170, (3E)-3-[2-[(1S,4aS,5R,6R,8aS)-Decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]-2(3H)-furanone;2(3H)-Furanone, 3-[2-[decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]-, [1R-[1A'A|AfA,2A'A|AfA,4aA'A|AfA,5A'A|Afas(E),8aA'A|Afas]]-;

Molecular Formula: C20H28O4Molecular Weight: 332.433920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: YIIRVUDGRKEWBV-GCLMUHHRSA-N

• Dehydroaripiprazole
IUPAC Name: 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-quinolin-2-one | CAS Registry Number: 129722-25-4
Synonyms: CHEMBL161792, 7-(4-(4-(2,3-Dichlorophenyl)piperazin-1-yl)butoxy)quinolin-2(1H)-one, 7-[4-[4-(2,3-DICHLOROPHENYL)-1-PIPERAZINYL]BUTOXY]-2(1H)-QUINOLINONE, SureCN8423, UNII-2S514OZH3B, QUI013, CTK8C4455, MolPort-003-846-173, ANW-72044, AKOS015912272, AK-57245, KB-199812, L003824, I14-36622, 2(1H)-Quinolinone, 7-[4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy]-

Molecular Formula: C23H25Cl2N3O2Molecular Weight: 446.369500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: CDONPRYEWWPREK-UHFFFAOYSA-N

• Dehydrocostus Lactone
IUPAC Name: (3aS,6aR,9aR,9bS)-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one | CAS Registry Number: 477-43-0
Synonyms: Dehydrocostus lactone, CHEBI:244418, AIDS070708, AIDS-070708, CID73174, ZINC00898477, C09387, (3aS,6aR,9aR,9bS)-3,6,9-Trimethylene-decahydro-azuleno[4,5-b]furan-2-one, Azuleno(4,5-b)furan-2(3H)-one, decahydro-3,6,9-tris(methylene)-, (3aS-(3a.alpha.,6a.alpha.,9a.alpha.,9b.beta.))-, Azuleno(4,5-b)furan-2(3H)-one, decahydro-3,6,9-tris(methylene)-, (3aS-(3aalpha,6aalpha,9aalpha,9bbeta))-

Molecular Formula: C15H18O2Molecular Weight: 230.302220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NETSQGRTUNRXEO-XUXIUFHCSA-N

• Dehydroepiandrosterone (DHEA)
IUPAC Name: (3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one | CAS Registry Number: 53-43-0
Synonyms: Dehydroepiandrosterone, Androstenolone, Psicosterone, Diandrone, Diandron, Dehydroisoandrosterone, DHEA, Prestara, PRASTERONE, Andrestenol, 17-Hormoforin, 17-Chetovis, Siscelar plus, trans-Dehydroandrosterone, Androstenol, Astenile, Deandros, Inflabloc, Anastar, Fidelin

Molecular Formula: C19H28O2Molecular Weight: 288.424420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FMGSKLZLMKYGDP-USOAJAOKSA-N

• Delavirdine
IUPAC Name: N-[2-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide | CAS Registry Number: 136817-59-9
Synonyms: Rescriptor, Rescriptor (TM), BHAP der, Delavirdine [INN], UNII-DOL5F9JD3E, BHAP-U 90152, Delavirdine (*Mesylate salt*), C22H28N6O3S, CID5625, U90152S (*Mesylate salt*), AIDS005059, AIDS086776, 147221-93-0 (mesylate), AIDS-005059, AIDS-086776, PNU-90152-T, ZINC18516586, Delavirdine(U-90152) & .a.IFN, U-90152S, u-90152

Molecular Formula: C22H28N6O3SMolecular Weight: 456.561120 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: WHBIGIKBNXZKFE-UHFFFAOYSA-N

• Deoxycholic acid
IUPAC Name: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid | CAS Registry Number: 83-44-3
Synonyms: Desoxycholic acid, DEOXYCHOLIC ACID, Cholerebic, Cholorebic, Droxolan, Pyrochol, Septochol, Degalol, Choleic acid, deoxycholate, Desoxycholsaeure, Deoxycholatic acid, Deoxy cholic acid, Cholic acid, deoxy-, 7-Deoxycholic acid, 7alpha-Deoxycholic acid, Dihydroxycholanoic acid, 1e3v, 5-beta-Deoxycholic acid, Spectrum5_002007

Molecular Formula: C24H40O4Molecular Weight: 392.572000 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: KXGVEGMKQFWNSR-LLQZFEROSA-N

• DES-N-(METHOXYCARBONYL)-L-TERT-LEUCINE BIS-BOC ATAZANAVIR
IUPAC Name: tert-butyl N-[[(2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]-[(4-pyridin-2-ylphenyl)methyl]amino]carbamate | CAS Registry Number: 198904-86-8
Synonyms: Des-N-(methoxycarbonyl)-L-tert-leucine Bis-Boc Atazanavir, SureCN2175950, CTK8F0192, AKOS015950829, AB1004604, Y6614, 1-[4-(Pyridin-2-yl)phenyl]-5(S)-2,5-bis)[(tert-butyloxycarbonyl)-amino]-4(S)-hydroxyl-6-phenyl-2-azahexane, 2-[(2S,3S)-3-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl]-2-[[4-(2-pyridinyl)phenyl]methyl]hydrazinecarboxylic Acid 1,1-Dimethylethyl Ester, Des-N-(methoxycarbonyl)-L-tert-leucine Bis-Boc Atazanavir; 2-[(2S,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl]-2-[[4-(2-pyridinyl)phenyl]methyl]-Hydrazinecarboxylic acid 1,1-dimethylethyl ester

Molecular Formula: C32H42N4O5Molecular Weight: 562.699680 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: KYSDBVSJLBOZDZ-NSOVKSMOSA-N

• Digitonin
Synonyms: Digitin, CHEBI:27729, NCGC00091824-01, (25R)-2alpha,15beta-dihydroxy-5alpha-spirostan-3beta-yl beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->3)]-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranoside, beta-D-Galactopyranoside, (2alpha,3beta,5alpha,15beta,25R)-2,15-dihydroxyspirostan-3-yl O-beta-D-glucopyranosyl-(1-3)-O-beta-D-galactopyranosyl-(1-2)-O-(beta-D-xylopyranosyl-(1-3))-O-beta-D-glucopyranosyl-(1-4)-

Molecular Formula: C56H92O29Molecular Weight: 1229.312280 [g/mol]
H-Bond Donor: 17H-Bond Acceptor: 29

InChIKey: UVYVLBIGDKGWPX-XJVHMSFUSA-N

• Dihydroartemisinin
Synonyms: Artenimol, Dihydroquinghoasu, Artenimol (INN), JAV-110, AIDS008346, AIDS-008346, CID456410, VM3352, D07362, [3R-(3.alpha.,5a.beta.,6.beta.,8a.beta.,9.alpha.,10.alpha.,12.beta.,12aR*)]-Decahydro-10-hydroxy-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4.3-j]-1,2-benzodioxepin, 81496-81-3

Molecular Formula: C15H24O5Molecular Weight: 284.348060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: BJDCWCLMFKKGEE-KXTPALSWSA-N

• Dihydroisotanshinone I
IUPAC Name: 4,8-dimethyl-8,9-dihydronaphtho[2,1-f][1]benzofuran-7,11-dione | CAS Registry Number: 20958-18-3
Synonyms: CID89406, 4,8-Dimethyl-8,9-dihydrophenanthro[3,2-b]furan-7,11-dione, Phenanthro(3,2-b)furan-7,11-dione, 8,9-dihydro-4,8-dimethyl-, Phenanthro[3,2-b]furan-7,11-dione, 8,9-dihydro-4,8-dimethyl-

Molecular Formula: C18H14O3Molecular Weight: 278.301960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: KXNYCALHDXGJSF-UHFFFAOYSA-N

• Dihydromyricetin
IUPAC Name: (2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one | CAS Registry Number: 27200-12-0
Synonyms: Ampelopsin, Ampeloptin, (+)-Ampelopsin, Ampelopsin (flavanol), (+)-Dihydromyricetin, CHEBI:28429, CID161557, ZINC04096945, Flavanone, 3,3',4',5,5',7-hexahydroxy-, LS-39586, C02906, 3,3',4',5,5',7-Hexahydroxy-2,3-dihydroflavanonol, (2R,3R)-3,5,7,3',4',5'-hexahydroxyflavanone, (2R-trans)-2,3-Dihydro-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one, 4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-, (2R-trans)-, (2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydro-4H-chromen-4-one

Molecular Formula: C15H12O8Molecular Weight: 320.250980 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 8

InChIKey: KJXSIXMJHKAJOD-LSDHHAIUSA-N

• DIMETHYL 2-(3-OXO-2-PENTYL-CYCLOPENTYL)PROPANEDIOATE
IUPAC Name: dimethyl 2-(3-oxo-2-pentylcyclopentyl)propanedioate | CAS Registry Number: 51806-23-6
Synonyms: STOCK5S-43124, MolPort-000-779-222, EINECS 257-434-0, CID103546, ZINC02235744, Dimethyl (3-oxo-2-pentylcyclopentyl)malonate, Propanedioic acid, (3-oxo-2-pentylcyclopentyl)-, dimethyl ester, Propanedioic acid, 2-(3-oxo-2-pentylcyclopentyl)-, 1,3-dimethyl ester

Molecular Formula: C15H24O5Molecular Weight: 284.348060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: ROZSFNKSMIZYLM-UHFFFAOYSA-N


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