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All Chemistry Inc.

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Profile: ALL Chemistry Inc. is your reliable partner for contract research and advanced synthesis and analysis. We specialize in providing professional chemical products and custom solutions for pharmaceutical and biotechnological industries and research institutions on a global scale. Our extensive catalog of research chemicals covers chiral compounds, natural compounds, labeled products, small molecule inhibitors, flavor and fragrance products, and we offer custom synthesis, custom compound screening and library services upon customer requirements.

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• Adenine
IUPAC Name: 7H-purin-6-amine | CAS Registry Number: 73-24-5
Synonyms: adenine, 6-Aminopurine, Adenin, Adeninimine, 1H-Purin-6-amine, Vitamin B4, Leuco-4, 2-aminopurine, Purine, 6-amino-, 9H-Purin-6-amine, Leucon, 6-Amino-1H-purine, 6-Amino-3H-purine, 6-Amino-7H-purine, 6-Amino-9H-purine, adenine-ring, Pedatisectine B, Adenine [JAN], 1jys, 1nli

Molecular Formula: C5H5N5Molecular Weight: 135.126700 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: GFFGJBXGBJISGV-UHFFFAOYSA-N

• Adenosine
IUPAC Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol | CAS Registry Number: 58-61-7
Synonyms: adenosine, Adenine riboside, Adenocard, Adenoscan, deoxyadenosine, Desoxyadenosine, Nucleocardyl, Sandesin, Boniton, Myocol, beta-Adenosine, beta-D-Adenosine, Adenine nucleoside, Polyadenosine, Adenosin, Adenyldeoxyriboside, Polyriboadenosine, Adenosin [German], adenine-D-ribose, 1odi

Molecular Formula: C10H13N5O4Molecular Weight: 267.241320 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 9

InChIKey: OIRDTQYFTABQOQ-KQYNXXCUSA-N

• Afoxolaner
IUPAC Name: 4-[(5R)-5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide | CAS Registry Number: 1093861-60-9
Synonyms: Afoxolaner (USAN), Afoxolaner [USAN], D10361, UNII-02L07H6D0U component OXDDDHGGRFRLEE-HSZRJFAPSA-N, 1-Naphthalenecarboxamide, 4-(5-(3-chloro-5-(trifluoromethyl)phenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl)-N-(2-oxo-2-((2,2,2-trifluoroethyl)amino)ethyl)-, 4-(5-(3-Chloro-5-(trifluoromethyl)phenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-N-(2-oxo-2-((2,2,2-trifluoroethyl)amino)ethyl)naphthalene-1-carboxamide

Molecular Formula: C26H17ClF9N3O3Molecular Weight: 625.870109 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 13

InChIKey: OXDDDHGGRFRLEE-HSZRJFAPSA-N

• AG1024
IUPAC Name: 2-[(3-bromo-5-tert-butyl-4-hydroxyphenyl)methylidene]propanedinitrile | CAS Registry Number: 65678-07-1
Synonyms: Tyrphostin AG 1024, AG 1024, ag1024, 3-Bromo-5-t-butyl-4-hydroxy-benzylidenemalonitrile, (3-bromo-5-tert-butyl-4-hydroxybenzylidene)malononitrile, 2-(3-bromo-5-tert-butyl-4-hydroxybenzylidene)malononitrile, propanedinitrile, [[3-bromo-5-(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-, AG-1024, AC1L1CSO, AG-1024 - Tyrphostin, cc-273, AC1Q25S8, CHEMBL2218926, CTK2F4655, MolPort-016-580-654, HMS3229A03, KST-1A7453, ABP001001, AR-1A4101, HSCI1_000032

Molecular Formula: C14H13BrN2OMolecular Weight: 305.169820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ABBADGFSRBWENF-UHFFFAOYSA-N

• Alcaftadine
IUPAC Name: 11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine-3-carbaldehyde | CAS Registry Number: 147084-10-4
Synonyms: Alcaftadine (USAN/INN), D06552

Molecular Formula: C19H21N3OMolecular Weight: 307.389540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: MWTBKTRZPHJQLH-UHFFFAOYSA-N

• Aldicarb sulfone
IUPAC Name: [(E)-(2-methyl-2-methylsulfonylpropylidene)amino] N-methylcarbamate | CAS Registry Number: 1646-88-4
Synonyms: Aldoxycarb, Sulfocarb, Standak, Aldoxycarbe, ALDICARB SULFONE, Aldicarb-sulfone, Caswell No. 011AA, Aldoxycarbe [ISO-French], RCRA waste no. P203, Aldoxycarb [ANSI:BSI:ISO], PS1055_SUPELCO, ENT 4.9, 33387_RIEDEL, ENT AI3-29261, 33387_FLUKA, EINECS 216-710-0, MolPort-003-930-241, EPA Pesticide Chemical Code 110801, BRN 1971375, UC-21865

Molecular Formula: C7H14N2O4SMolecular Weight: 222.262060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: YRRKLBAKDXSTNC-WEVVVXLNSA-N

• Alitame anhydrous
IUPAC Name: (3S)-3-amino-4-oxo-4-[[(2R)-1-oxo-1-[(2,2,4,4-tetramethylthietan-3-yl)amino]propan-2-yl]amino]butanoic acid | CAS Registry Number: 80863-62-3
Synonyms: Alitame, UNII-PCE8DAE750, CID64763, D-Alaninamide, L-alpha-aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-, L-alpha-Aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-D-alaninamide

Molecular Formula: C14H25N3O4SMolecular Weight: 331.431000 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: IVBOUFAWPCPFTQ-SFYZADRCSA-N

• all-trans-4-Oxoretinoic acid
IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid | CAS Registry Number: 38030-57-8
Synonyms: 4-Oxoretinoic acid, 4-oxo-Tretinoin, 4-Ketoretinoic acid, Retinoic acid, 4-oxo-, 4-Oxo-all-trans-retinoic acid, all-trans-4-Oxo-retinoic acid, all-trans-4-oxoretinoic acid, CHEBI:269971, MolPort-003-848-325, LMPR01090026, Ro 12-4824, CID6437063, LS-143473, C16678, (E)-3,7-Dimethyl-9-(2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid, (2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-3-oxo-cyclohex-1-enyl)-nona-2,4,6,8-tetraenoic acid

Molecular Formula: C20H26O3Molecular Weight: 314.418640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GGCUJPCCTQNTJF-FRCNGJHJSA-N

• ALLO-2
IUPAC Name: N-[4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]-1H-indazol-5-amine | CAS Registry Number: 1357350-60-7
Synonyms: CHEMBL4570165, (1H-Indazol-5-yl)-[4-(4-trifluoromethoxyphenyl)pyrimidin-2-yl]amine, N-[4-[4-(Trifluoromethoxy)phenyl]-2-pyrimidinyl]-1H-indazol-5-amine, BDBM50530459, ZINC211590195, HY-117407, CS-0065882, N-(4-(4-(Trifluoromethoxy)phenyl)pyrimidin-2-yl)-1H-indazol-5-amine

Molecular Formula: C18H12F3N5OMolecular Weight: 371.300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: QTYGEBIJNWMVCW-UHFFFAOYSA-N

• Alpha Pinen
IUPAC Name: 4,7,7-trimethylbicyclo[3.1.1]hept-3-ene | CAS Registry Number: 80-56-8
Synonyms: ALPHA-PINENE, 2-Pinene, Pinene isomer, Monoterpenes, Acintene A, .alpha.-Pinene, Cyclic dexadiene, Acitene A, PINENE, ALPHA, 1R-.alpha.-Pinene, 1S-.alpha.-Pinene, pin-2-ene, alpha [D] Pinene, alpha [L] Pinene, ( )-alpha-Pinene, (R)-.alpha.-Pinene, alpha-Pinene (natural), pin-2(3)-ene, PINENE, (+-)-alpha-pinene

Molecular Formula: C10H16Molecular Weight: 136.234040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: GRWFGVWFFZKLTI-UHFFFAOYSA-N

• AMAROGENTIN
IUPAC Name: [(2S,3R,4S,5S,6R)-2-[[(4aS,5R,6S)-5-ethenyl-1-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate | CAS Registry Number: 21018-84-8
Synonyms: Amarogentin, CHEBI:2622, C09767, 2-(4aS-(4aalpha,5beta,6alpha))-3,3',5-Trihydroxy-(1,1'-biphenyl)-2-carboxylate, (1,1'-Biphenyl)-2-carboxylic acid, 3,3',5-trihydroxy-, 2-ester with 5-ethenyl-6-(beta-D-glucopyranosyloxy)-4,4a,5,6-tetrahydro-1H,3H-pyrano(3,4-c)pyran-1-one, (4aS-(4aalpha,5beta,6alpha))-, (4aR)-5t-ethenyl-6c-[O(2)-(3,5,3'-trihydroxybiphenyl-2-ylcarbonyl)-beta-D-glucopyranosyloxy]-4,4ar,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one, 1H,3H-Pyrano(3,4-c)pyran-1-one, 5-ethenyl-4,4a,5,6-tetrahydro-6-((2-O-((3,3',5-trihydroxy(1,1'-biphenyl)-2-yl)carbonyl)-beta-D-glucopyranosyl)oxy)-, (4aS,5R,6S)-

Molecular Formula: C29H30O13Molecular Weight: 586.540700 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 13

InChIKey: DBOVHQOUSDWAPQ-WTONXPSSSA-N

• Amikacin sulfate
IUPAC Name: 4-amino-N-[5-amino-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide;sulfuric acid | CAS Registry Number: 149022-22-0
Synonyms: CTK8F1342

Molecular Formula: C22H45N5O17SMolecular Weight: 683.681000 [g/mol]
H-Bond Donor: 15H-Bond Acceptor: 21

InChIKey: HIBICIOPDUTNRR-UHFFFAOYSA-N

• Aminophylline
IUPAC Name: 1,3-dimethyl-7H-purine-2,6-dione; 1,3-dimethyl-7H-purine-2,6-dione; ethane-1,2-diamine | CAS Registry Number: 317-34-0
Synonyms: aminophylline, Aminophyllin, Somophyllin, Theophyllaminum, Cardiofilina, Cardophyllin, Ethophylline, Metaphylline, Methophylline, Peterphyllin, Phyllocontin, Syntophyllin, Theophyldine, Theophyllamine, Variaphylline, Aminocardol, Ammophyllin, Cardophylin, Diaphilline, Diaphylline

Molecular Formula: C16H24N10O4Molecular Weight: 420.426360 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 10

InChIKey: FQPFAHBPWDRTLU-UHFFFAOYSA-N

• Aminopurvalanol A
IUPAC Name: 2-[[6-(3-amino-5-chloroanilino)-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol | CAS Registry Number: 220792-57-4
Synonyms: Aminopurvalanol, ZINC00582597, CTK8F1119, K00613a, DNC000205

Molecular Formula: C19H26ClN7OMolecular Weight: 403.909040 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: RAMROQQYRRQPDL-UHFFFAOYSA-N

• Anabasine
IUPAC Name: 3-[(2S)-piperidin-2-yl]pyridine | CAS Registry Number: 494-52-0
Synonyms: Neonicotine, Neonikotin, Anabasin, Anabazin, (-)-Anabasine, (S)-anabasine, S-(-)-Anabasine, Tocris-1971, CHEBI:74, 2-(3'-Pyridyl) piperidine, L-3-(2'-Piperidyl)pyridine, Piperidine, 2-(3-pyridyl)-, Pyridine, 3-(2-piperidyl)-, WLN: T6NJ C- BT6MTJ, ZERO/001717, (-)-2-(3'-Pyridyl)piperidine, 3-[(2S)-piperidin-2-yl]pyridine, NSC87504, CID205586, NCGC00016468-01

Molecular Formula: C10H14N2Molecular Weight: 162.231560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: MTXSIJUGVMTTMU-JTQLQIEISA-N

• Annonacin
IUPAC Name: (2S)-2-methyl-4-[(2R,8R,13R)-2,8,13-trihydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one | CAS Registry Number: 111035-65-5
Synonyms: NSC606194, SureCN14666180, AC1L748U, NSC-606194, NCI60_004657, B83674F237, C20213, (2S)-2-methyl-4-[(2R,8R,13R)-2,8,13-trihydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one

Molecular Formula: C35H64O7Molecular Weight: 596.878460 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: XNODZYPOIPVPRF-CGWDHHCXSA-N

• Antibiotic A396I
IUPAC Name: (3'R,3aS,4S,4'S,5'R,6R,6'R,7S,7aS)-6'-[(1S)-1-amino-2-hydroxyethyl]-4-[(2S,3R,5S,6R)-3,5-diamino-2,6-dihydroxycyclohexyl]oxy-6-(hydroxymethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,2'-oxane]-3',4',5',7-tetrol | CAS Registry Number: 31357-30-9
Synonyms: A396-I

Molecular Formula: C19H35N3O13Molecular Weight: 513.493500 [g/mol]
H-Bond Donor: 11H-Bond Acceptor: 16

InChIKey: KVSOEYKMPUZSCL-CGTIQXGMSA-N

• Apararenone
IUPAC Name: N-[4-(4-fluorophenyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-7-yl]methanesulfonamide | CAS Registry Number: 945966-46-1
Synonyms: CHEMBL2181929, UNII-832663U2NB, 832663U2NB, N-(4-(4-Fluorophenyl)-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)methanesulfonamide, N-[4-(4-fluorophenyl)-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl]methanesulfonamide, Apararenone [INN], SCHEMBL753911, AZNHWXAFPBYFGH-UHFFFAOYSA-N, BDBM50004519, DB15024, HY-109002, CS-0030433, Q27269381, Methanesulfonamide, N-(4-(4-fluorophenyl)-3,4-dihydro-2,2-dimethyl-3-oxo-2H-1,4-benzoxazin-7-yl)-, N-(4-(4-Fluorophenyl)-2,2-dimethyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-7-yl)methanesulfonamide, N-[4-(4-fluorophenyl)-2,2-dimethyl-3-oxo-3,4-dihydro-2H -1,4-benzoxazin-7-yl]methanesulfonamide, N-[4-(4-Fluorophenyl)-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzooxazine-7-yl]methanesulfonamide

Molecular Formula: C17H17FN2O4SMolecular Weight: 364.400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: AZNHWXAFPBYFGH-UHFFFAOYSA-N

• Aprotinin
Synonyms: Trasylol, Trazinin, Zymofren, Iniprol, APROTININ, Riker 52G, Bayer A 128, AIDS043659, AIDS-043659, RP-9921, RPDFCLEPPYTGPCKARIIRYFYNAKAGLCQTFVYGGCRAKRNNFKSAEDCMRTCGGA

Molecular Formula: C284H432N84O79S7Molecular Weight: 6511.439280 [g/mol]
H-Bond Donor: 93H-Bond Acceptor: 102

InChIKey: ZPNFWUPYTFPOJU-LPYSRVMUSA-N

• Aristolochic acid B
IUPAC Name: 6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid | CAS Registry Number: 475-80-9
Synonyms: Aristolochic acid II, CCRIS 6497, EINECS 207-499-6, BRN 0329754, CID108168, LS-102940, 5-19-07-00425 (Beilstein Handbook Reference), 6-Nitrophenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 6-nitro-

Molecular Formula: C16H9NO6Molecular Weight: 311.245760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: MEEXETVZNQYRSP-UHFFFAOYSA-N

• Asoxime dichloride
IUPAC Name: [(Z)-[1-[(4-carbamoylpyridin-1-ium-1-yl)methoxymethyl]pyridin-2-ylidene]methyl]-oxoazanium dichloride | CAS Registry Number: 34433-31-3
Synonyms: Asoxime chloride, HI-6 Dichloride, HI 6, CCRIS 7699, HI-6, HJ 6, CID5484128, WR 249655, (((4-(Iminocarbonyl)pyridinio)methoxy)methyl)-2-((hydroxyimino)methyl)pyridinium dichloride, 4'-Carbamoyl-2-formyl-1,1'-(oxydimethylene)di-pyridinium-dichloride-2-oxime, Pyridinium, 1-(((4-(aminocarbonyl)pyridinio)methoxy)methyl)-2-((hydroxyimino)methyl)-, 2Cl, Pyridinium, 4'-carbamoyl-2-formyl-1,1'-(oxydimethylene)di-, dichloride, 2-oxime, 1-(2-Hydroxyiminomethyl-1-pyridino)-3-(4-carbamoyl-1-pyridino)-2-oxapropane dichloride monohydrate

Molecular Formula: C14H16Cl2N4O3Molecular Weight: 359.207840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: QELSIJXWEROXOE-WOAHMTPUSA-N

• Aspirin
IUPAC Name: 2-acetyloxybenzoic acid | CAS Registry Number: 50-78-2
Synonyms: aspirin, Acylpyrin, Colfarit, Ecotrin, Acetylsalicylate, Enterosarein, Acenterine, Polopiryna, Micristin, Acetosal, Easprin, ACETYLSALICYLIC ACID, Acetosalic acid, Enterosarine, Acetophen, Acetosalin, Acetylsal, Aspirdrops, Bialpirina, Clariprin

Molecular Formula: C9H8O4Molecular Weight: 180.157420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: BSYNRYMUTXBXSQ-UHFFFAOYSA-N

• Atopaxar
IUPAC Name: 1-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)ethanone | CAS Registry Number: 751475-53-3
Synonyms: ER-172594-00, E5555, E 5555, E-5555, Atopaxar (USAN), Atopaxar [USAN:INN], UNII-HTI275SD2D, SureCN1730339, CHEMBL2103856, NCGC00346938-01, D09866, 2-(5,6-Diethoxy-7-fluoro-1-imino-1,3-dihydro-2H-isoindol-2-yl)-1-(3-(1,1-dimethylethyl)- 4-methoxy-5-(morpholin-4-yl)phenyl)ethanone, Ethanone, 2-(5,6-diethoxy-7-fluoro-1,3-dihydro-1-imino-2H-isoindol-2-yl)-1-(3-(1,1- dimethylethyl)-4-methoxy-5-(4-morpholinyl)phenyl)-

Molecular Formula: C29H38FN3O5Molecular Weight: 527.627523 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: QWKAUGRRIXBIPO-UHFFFAOYSA-N

• ATP disodium salt
IUPAC Name: disodium [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] phosphate | CAS Registry Number: 987-65-5
Synonyms: Adenosine triphosphate disodium, CHEBI:50732, Disodium adenosine 5'-triphosphate, Adenosine 5'-triphosphate disodium salt, disodium 5'-O-(hydroxy{[hydroxy(phosphonatooxy)phosphoryl]oxy}phosphoryl)adenosine

Molecular Formula: C10H14N5Na2O13P3Molecular Weight: 551.144683 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 18

InChIKey: TTWYZDPBDWHJOR-IDIVVRGQSA-L

• Aucubin
IUPAC Name: (2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol | CAS Registry Number: 479-98-1
Synonyms: Ambap2262, MEGxp0_001729, 55561_FLUKA, ACon1_002452, EINECS 207-540-8, AIDS031379, NSC 407293, AIDS-031379, CID91458, LMPR01020107, NSC407293, ZINC04098334, NCGC00169833-01, LS-183147, C09771, 1,4a,5,7a-Tetrahydro-5-hydroxy-7-hydroxymethylcyclopenta(c)pyran-1-yl-beta-D-glucopyranoside, (1S-(1alpha,4aalpha,5alpha,7aalpha))-1,4a,5,7a-Tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta(c)pyran-1-yl-beta-D-glucopyranoside, (2S,3R,4S,5S,6R)-2-((1S,4aR,5R,7aS)-5-Hydroxy-7-hydroxymethyl-1,4a,5,7a-tetrahydro-cyclopenta[c]pyran-1-yloxy)-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol

Molecular Formula: C15H22O9Molecular Weight: 346.329780 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 9

InChIKey: RJWJHRPNHPHBRN-FKVJWERZSA-N

• Autocamtide-2-Related Inhibitory Peptide
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,5S)-5-[[(2S)-2-[[(2R,5S)-5-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-2-(3-amino-3-oxopropyl)-8-(diaminomethylideneamino)-4-oxooctanoyl]amino]-4-carboxybutanoyl]amino]-4-oxo-2-propan-2-ylhexanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-4-methylpentanoic acid | CAS Registry Number: 167114-91-2
Synonyms: [Ala9]-Autocamtide 2, Autocamtide 2-related inhibitory peptide

Molecular Formula: C65H114N20O21Molecular Weight: 1511.722060 [g/mol]
H-Bond Donor: 22H-Bond Acceptor: 26

InChIKey: COEHZSYVSXUBHI-CYZNULJVSA-N

• AZD7325
IUPAC Name: 4-amino-8-(2-fluoro-6-methoxyphenyl)-N-propylcinnoline-3-carboxamide | CAS Registry Number: 942437-37-8
Synonyms: UNII-KNM216XOUH, AZD-7325, CHEMBL1783282, KNM216XOUH, GTPL7712, SCHEMBL1962584, KYDURMHFWXCKMW-UHFFFAOYSA-N, AZD 7325, BDBM50418481, 4-amino-8-(2-fluoro-6-methoxy-phenyl)-N-propyl-cinnoline-3-carboxamide, 4-Amino-8-(2-fluoro-6-methoxy-phenyl)-N-propylcinnoline-3-carboxamide, 4-amino-8-(2-fluoro-6-methoxyphenyl)-N-propylcinnoline-3-carboxamide

Molecular Formula: C19H19FN4O2Molecular Weight: 354.385 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: KYDURMHFWXCKMW-UHFFFAOYSA-N

• BAY-1797
IUPAC Name: N-[4-(3-chlorophenoxy)-3-sulfamoylphenyl]-2-phenylacetamide | CAS Registry Number: 2055602-83-8
Synonyms: CHEMBL4521594, N-[4-(3-chlorophenoxy)-3-sulfamoylphenyl]-2-phenylacetamide, N-(4-(3-chlorophenoxy)-3-sulfamoylphenyl)-2-phenylacetamide, SCHEMBL18301630, EX-A4447, BDBM50506158, HY-130605, CS-0109406

Molecular Formula: C20H17ClN2O4SMolecular Weight: 416.900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: CSJYMAFXYMYNCK-UHFFFAOYSA-N

• Benzethonium chloride
IUPAC Name: benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium chloride | CAS Registry Number: 121-54-0
Synonyms: benzethonium chloride, Hyamine, benzethonium, Quatrachlor, Phemeride, Phemithyn, Solamine, Disilyn, Kylacol, Solamin, Diapp, Phemerol Chloride, Polymine D, Antiseptol, Microklenz, Banagerm, Inactisol, Phemerol, Sanizol, Neostelin green

Molecular Formula: C27H42ClNO2Molecular Weight: 448.080880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: UREZNYTWGJKWBI-UHFFFAOYSA-M

• Benzocaine hydrochloride
IUPAC Name: ethyl 4-aminobenzoate hydrochloride | CAS Registry Number: 23239-88-5
Synonyms: NSC122792, ST5448565

Molecular Formula: C9H12ClNO2Molecular Weight: 201.650080 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: JAADDQHUJDUAKW-UHFFFAOYSA-N

• Benzonatate
IUPAC Name: 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-(butylamino)benzoate | CAS Registry Number: 104-31-4
Synonyms: Benzononatine, Benzononantin, Tessalon, Ventussin, Exangit, Tessalon-ciba, Ventussin-loz, Tessalon Perles, Benzonatato, Benzonatatum, Benzonatatum [INN-Latin], Benzonatato [INN-Spanish], Tessalon perles (TN), Benzonatate (USP/INN), Prestwick0_000012, Prestwick1_000012, Prestwick2_000012, Prestwick3_000012, UNII-5P4DHS6ENR, KM65

Molecular Formula: C30H53NO11Molecular Weight: 603.741920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 12

InChIKey: MAFMQEKGGFWBAB-UHFFFAOYSA-N

• Benzonitrile, 3,3'-[(2-oxo-1,3-cyclohexanediylidene)dimethylidyne]bis- (9CI)
IUPAC Name: 3-[(E)-[(3E)-3-[(3-cyanophenyl)methylidene]-2-oxocyclohexylidene]methyl]benzonitrile | CAS Registry Number: 63476-70-0
Synonyms: CHEMBL4449753, AKOS008372441

Molecular Formula: C22H16N2OMolecular Weight: 324.400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: LENALXRGKSPEKI-ZIOPAAQOSA-N

• Bestatin
IUPAC Name: (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoic acid | CAS Registry Number: 58970-76-6
Synonyms: Ubenimex, Ubestatin, Ubenimexum [Latin], 1txr, Ubenimex [INN:JAN], Bestatin hydrochloride, Tocris-1956, Lopac0_000214, BSPBio_001553, KBioGR_000273, KBioSS_000273, MLS000028649, MLS001424177, 482609_ALDRICH, BCBcMAP01_000178, EINECS 261-529-2, KBio2_000273, KBio2_002841, KBio2_005409, KBio3_000545

Molecular Formula: C16H24N2O4Molecular Weight: 308.372760 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: VGGGPCQERPFHOB-RDBSUJKOSA-N

• Beta-Amyloid (1-42) Human
Synonyms: Amyloid?|A-Peptide (1-42) (human)

Molecular Formula: C203H311N55O60SMolecular Weight: 4514.038940 [g/mol]
H-Bond Donor: 59H-Bond Acceptor: 68

InChIKey: XPESWQNHKICWDY-BPJSZXKCSA-N

• Bethanechol chloride
IUPAC Name: 2-carbamoyloxypropyl(trimethyl)azanium chloride | CAS Registry Number: 590-63-6
Synonyms: Urecholine, Besacholine, Mechotane, Mechothane, Mecothane, Myocholine, Mictone, Mictrol, Myotonachol, Duvoid, Uro-Carb, bethanechol, Urecholine chloride, Muscaran, Myotonine, Myotonine chloride, Urecholine (TN), Bethaine choline chloride, Carbamylmethylcholine chloride, beta-Methyl carbachol chloride

Molecular Formula: C7H17ClN2O2Molecular Weight: 196.675080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: XXRMYXBSBOVVBH-UHFFFAOYSA-N

• Betulin
IUPAC Name: (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol | CAS Registry Number: 473-98-3
Synonyms: Betulinol, Trochol, Betuline, Betulol, Messagenin, Triterpenoid, Betulinic alcohol, Betulin, 23, Ambap4788, Prestwick3_000990, BSPBio_001059, NSC 4644, B9757_SIGMA, Lup-20(29)-ene-3beta,28-diol, BPBio1_001165, MEGxp0_001726, ACon1_000091, EINECS 207-475-5, Lup-20(30)-ene-3beta,28-diol, NSC4644

Molecular Formula: C30H50O2Molecular Weight: 442.716800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: FVWJYYTZTCVBKE-ROUWMTJPSA-N

• Betulinic acid
IUPAC Name: (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid | CAS Registry Number: 472-15-1
Synonyms: betulinic acid, Mairin, Betulic acid, Prestwick_95, Betulinic Acid, 24, Prestwick0_000417, Prestwick1_000417, Prestwick2_000417, Prestwick3_000417, CCRIS 6748, BSPBio_000374, BSPBio_001587, MLS000728510, SPBio_002313, NSC677578, 855057_ALDRICH, BPBio1_000412, EINECS 207-448-8, AIDS005859, NSC 113090

Molecular Formula: C30H48O3Molecular Weight: 456.700320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: QGJZLNKBHJESQX-FZFNOLFKSA-N

• Biperiden Hydrochloride
IUPAC Name: 1-(6-bicyclo[2.2.1]hept-2-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol hydrochloride | CAS Registry Number: 1235-82-1
Synonyms: Akinophyl, Biperiden hydrochloride, Akineton, Tasmolin, Akineton hydrochloride, Tasmolin (TN), Prestwick_839, Akineton, hydrochloride, Biperidene hydrochloride, Biperidine hydrochloride, C21H29NO.HCl, EINECS 214-976-2, NSC 84989, NSC 170950, Biperiden hydrochloride (JP15/USP), Biperiden hydrochloride [USAN:BAN:JAN], NSC170950, LS-116089, D02246, WLN: L55 A CUTJ FXQR&2- AT6NTJ &GH

Molecular Formula: C21H30ClNOMolecular Weight: 347.922000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: RDNLAULGBSQZMP-UHFFFAOYSA-N

• Bisabolol
IUPAC Name: (2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol | CAS Registry Number: 515-69-5
Synonyms: alpha-Bisabolol, NSC606842, ZINC00968461

Molecular Formula: C15H26OMolecular Weight: 222.366340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: RGZSQWQPBWRIAQ-GJZGRUSLSA-N

• Bisindolylmaleimide VIII acetate
IUPAC Name: acetic acid;3-[1-(3-aminopropyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione | CAS Registry Number: 138516-31-1
Synonyms: Bisindolylmaleimide VIII, Acetate, Ro-31-7549, 2-[1-3(Aminopropyl)indol-3-yl]-3(1-methyl-1H-indol-3-yl)maleimide, Acetate, bisindolylmaleimide viii, Ro 31-7549 acetate, SureCN8167124, Ro 31-7549 (acetate), BIMI0231, CTK8E7079, MolPort-009-019-513, Bisindolylmaleimide VIII acetate salt, IN1118

Molecular Formula: C26H26N4O4Molecular Weight: 458.509040 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: VEOXVBTXROWDAH-UHFFFAOYSA-N

• BRD9539
IUPAC Name: 2-benzamido-1-(3-phenylpropyl)benzimidazole-5-carboxylic acid | CAS Registry Number: 1374601-41-8
Synonyms: BRD-9539, CHEMBL3414617, BRD 9539, D0RO9T, GTPL7375, MolPort-044-561-114, BCP12053, BDBM50075052, ZINC95099973, AKOS032944961, BRD 9539;BRD-9539, CS-5862, HY-15647, BRD9539, >=98% (HPLC), J-007025, 2-benzamido-1-(3-phenylpropyl)-1H-1,3-benzodiazole-5-carboxylic acid

Molecular Formula: C24H21N3O3Molecular Weight: 399.450 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: WPXMEOBILYVKBC-UHFFFAOYSA-N

• Brilliant blue G-250
IUPAC Name: sodium 3-[[4-[(E)-[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]-2-methylcyclohexa-2,5-dien-1-ylidene]methyl]-N-ethyl-3-methylanilino]methyl]benzenesulfonate | CAS Registry Number: 6104-58-1
Synonyms: Brilliant Blue G, Derma Cyanine G, Impero Azure G, Polycor Blue G, Benzyl Cyanine G, Brilliant Blue J, Optanol Cyanine G, Fenazo Blue XXFG, Brilliant Blue- G, Acidine Sky Blue G, Acid Blue 90, Silk Fast Cyanine G, Water Blue 150, Brilliant Acid Blue G, Brilliant Acid Blue J, Brilliant Acid Blue GI, Coomassie Blue G 250, Acid Brilliant Cyanine G, Brilliant Acid Cyanine G, C.I. Acid Blue 90

Molecular Formula: C47H48N3NaO7S2Molecular Weight: 854.019690 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 9

InChIKey: RWVGQQGBQSJDQV-UHFFFAOYSA-M

• Bromopride
IUPAC Name: 4-amino-5-bromo-N-(2-diethylaminoethyl)-2-methoxybenzamide | CAS Registry Number: 4093-35-0
Synonyms: bromopride, Valopride, Artomey, Viaben, Bromoprida, Bromopridum, Movipride, Prestwick_61, Movipride (TN), Bromoprida [Spanish], Bromopride (INN), Bromopridum [INN-Latin], Spectrum_001394, Bromoprida [INN-Spanish], Bromopride [DCF:INN], Bromopride [INN:DCF], Prestwick0_000704, Prestwick1_000704, Prestwick2_000704, Prestwick3_000704

Molecular Formula: C14H22BrN3O2Molecular Weight: 344.247380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: GIYAQDDTCWHPPL-UHFFFAOYSA-N

• BT2
IUPAC Name: 3,6-dichloro-1-benzothiophene-2-carboxylate | CAS Registry Number: 34576-94-8
Synonyms: ZINC00176157, CID4428479

Molecular Formula: C9H3Cl2O2S-Molecular Weight: 246.089920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: AAHPIJMQJAZYTM-UHFFFAOYSA-M

• BTdCPU
IUPAC Name: 1-(1,2,3-benzothiadiazol-6-yl)-3-(3,4-dichlorophenyl)urea | CAS Registry Number: 1257423-87-2
Synonyms: 1-(Benzo[d][1,2,3]thiadiazol-6-yl)-3-(3,4-dichlorophenyl)urea, SCHEMBL4555048, BCP31242, HY-118266, CS-0065564, eIF2 CGTP CtRNAiMetTernaryCompInhib,BTdCPU, 1-(1,2,3-Benzothiadiazole-6-yl)-3-(3,4-dichlorophenyl)urea

Molecular Formula: C13H8Cl2N4OSMolecular Weight: 339.200 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: NUUSUAWULNXMGF-UHFFFAOYSA-N

• Bulleyaconitine A
Synonyms: CID159311, LS-91078, Methanone, ((1-alpha,6-alpha,14-alpha,16-beta)-8-(acetyloxy)-20-ethyl-13-hydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl)(4-methoxyphenyl)-

Molecular Formula: C35H49NO9Molecular Weight: 627.764860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 10

InChIKey: YRECILNLFWZVRM-UHFFFAOYSA-N

• Butein
IUPAC Name: (E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one | CAS Registry Number: 487-52-5
Synonyms: butein, 2',3,4,4'-Tetrahydroxychalcone, 2',4',3,4-Tetrahydroxychalcone, B178_SIGMA, 3,4,2',4'-Tetrahydroxychalcone, EINECS 207-659-5, CHEBI:310267, AIDS057944, AIDS-057944, C15H12O5, HSCI1_000162, LMPK12120111, NSC652892, ZINC12428433, CID5281222, NCGC00163519-01, LS-123867, LS-175098, ST5331397, 2′,4′,3,4-Tetrahydroxychalcone

Molecular Formula: C15H12O5Molecular Weight: 272.252780 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: AYMYWHCQALZEGT-ORCRQEGFSA-N

• Butylated hydroxytoluene
IUPAC Name: 2,6-ditert-butyl-4-methylphenol | CAS Registry Number: 128-37-0
Synonyms: Butylhydroxytoluene, Dibunol, Ionol, Impruvol, Topanol, Dalpac, Deenax, Ionole, Stavox, Vianol, Antioxidant KB, Kerabit, Sustane, Tonarol, Agidol, Antioxidant 4K, Sumilizer BHT, Topanol O, Topanol OC, Vanlube PC

Molecular Formula: C15H24OMolecular Weight: 220.350460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: NLZUEZXRPGMBCV-UHFFFAOYSA-N

• Butylhydroxyanisole
IUPAC Name: 2-tert-butyl-4-methoxyphenol | CAS Registry Number: 25013-16-5
Synonyms: 2-tert-Butyl-4-methoxyphenol, 3-tert-Butyl-4-hydroxyanisole, 2-Butyl-4-hydroxyanisole, 3-BHA, 4-Methoxy-2-tert-butylphenol, BUTYLATED HYDROXYANISOLE, CCRIS 3746, Butylated hydroxyanisole I (D), 3-T-BUTYL-4-HYDROXYANISOLE, HSDB 2750, MLS000069623, Butylated hydroxyanisole (BHA), Phenol, 2-tert-butyl-4-methoxy-, 2(3)-tert-Butyl-4-hydroxyanisole, 20021_FLUKA, 96175_FLUKA, EINECS 204-442-7, CID8456, tert-BUTYLHYDROXYANISOLE TECH, BRN 1867499

Molecular Formula: C11H16O2Molecular Weight: 180.243540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: MRBKEAMVRSLQPH-UHFFFAOYSA-N

• CAL 101
IUPAC Name: 5-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4-one | CAS Registry Number: 1146702-54-6
Synonyms: Idelalisib, CAL-101, 870281-82-6, Zydelig, GS-1101, CAL101, (S)-2-(1-((9H-Purin-6-yl)amino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one, UNII-YG57I8T5M0, YG57I8T5M0, CHEMBL2216870, CHEBI:82701, (S)-2-(1-(9H-purin-6-ylamino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one, 5-Fluoro-3-phenyl-2-((S)-1-(9H-purin-6-ylamino)-propyl)-3H-quinazolin-4-one, CAL-101 (Idelalisib, GS-1101), AK145603, Idelalisib; CAL-101, 5-FLUORO-3-PHENYL-2-[(1S)-1-(9H-PURIN-6-YLAMINO)PROPYL]-4(3H)-QUINAZOLINONE, CAL-101, CAL101, 5-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4-one, 5-fluoro-3-phenyl-2-((1s)-1-(9h-purin-6-ylamino)propyl)-4(3h)-quinazolinone

Molecular Formula: C22H18FN7OMolecular Weight: 415.432 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: IFSDAJWBUCMOAH-HNNXBMFYSA-N


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