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Medical Isotopes, Inc.

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Contact: Eric Stohler
Web: http://www.medicalisotopes.com
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Address: 100 Bridge Street, Pelham, New Hampshire 03076, USA
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Profile: Medical Isotopes, Inc. manufactures stable isotope chemicals labeled with deuterium, C15, N15, O18 and metal isotopes. We offer deuterated vitamins and oxygen-18 water. We also deal with custom synthesis. We specialize in multi-step custom synthesis for pharmaceutical companies, government, research facilities and hospitals.

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• 1-Methylxanthine-D3
IUPAC Name: 1-(trideuteriomethyl)-3,7-dihydropurine-2,6-dione | CAS Registry Number: 109987-37-3
Synonyms: 1-Methyl Xanthine-d3, 1-Methylxanthine-d3, 1-MX-d3, CTK8F0262, 2,6-Dihydroxy-1-(methyl-d3)purine, 3,9-Dihydro-1-(methyl-d3)-1H-purine-2,6-dione, 1216430-61-3

Molecular Formula: C6H6N4O2Molecular Weight: 169.155925 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: MVOYJPOZRLFTCP-FIBGUPNXSA-N

• 7-Ketocholesterol-D7
IUPAC Name: (3S,8S,9S,10R,13R,14S)-3-hydroxy-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one | CAS Registry Number: 127684-08-6
Synonyms: 7-Oxocholesterol-d7, 7-Keto Cholesterol-d7, Cholest-5-en-3|A-ol-7-one-d7, SC 4722-d7, 3|A-Hydroxycholest-5-en-7-one-d7, (3|A)-3-Hydroxycholest-5-en-7-one-d7, FT-0670620, 7-Ketocholesterol-25,26,26,26, 27,27,27-d7

Molecular Formula: C27H44O2Molecular Weight: 407.680192 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YIKKMWSQVKJCOP-YMQSFMNJSA-N

• (R)-Azelastine
IUPAC Name: 2,3-dihydrotriazolo[4,5-d]pyrimidine-5,7-dione | CAS Registry Number: 143228-84-6
Synonyms: 8-AZAXANTHINE, Xanthazol, Azaxanthine, 2,6-Dioxy-8-azapurine, 8-Azaxanthin, USAF CB-26, 1468-26-4, NSC 756, CHEBI:40850, EINECS 215-992-2, v-Triazolo(4,5-d)pyrimidine-5,7-diol, AI3-25011, ST50307146, v-Triazolo(4,5-d)pyrimidine-5,7-diol (VAN), 2,6-Dihydroxy-8-azapurine, 1H-v-Triazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione, 8-Azaxanthine monohydrate, 1H-1,2,3-Triazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione, 3H-1,2,3-Triazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione, 3H-[1,2,3]triazolo[4,5-d]pyrimidine-5,7-diol

Molecular Formula: C4H3N5O2Molecular Weight: 153.098920 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: KVGVQTOQSNJTJI-UHFFFAOYSA-N

• (+)-N,O-Di-Desmethyl Tramadol
IUPAC Name: 3-[(1R,2R)-1-hydroxy-2-(methylaminomethyl)cyclohexyl]phenol | CAS Registry Number: 144830-18-2
Synonyms: 138853-73-3, Di-N,O-demethyltramadol, SureCN13950721, rac N,O-Didesmethyl Tramadol, (+)-N,O-Didesmethyl Tramadol, CTK8E8492, (+/-)-N,O-Di-Desmethyl Tramadol, FT-0666700, FT-0666703, (1R-cis)-3-[1-Hydroxy-2-[(methylamino)methyl]cyclohexyl]-phenol, 3-[(1R,2R)-1-Hydroxy-2-[(methylamino)methyl]cyclohexyl]-phenol, cis-(+/-)-3-[1-Hydroxy-2-[(methylamino)methyl]cyclohexyl]phenol, Phenol, 3-[(1R,2R)-1-hydroxy-2-[(methylamino)methyl]cyclohexyl]-, rel-3-[(1R,2R)-1-Hydroxy-2-[(methylamino)methyl]cyclohexyl]phenol, Phenol, 3-[1-hydroxy-2-[(methylamino)methyl]cyclohexyl]-, (1R-cis)-

Molecular Formula: C14H21NO2Molecular Weight: 235.322040 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: CJXNQQLTDXASSR-OCCSQVGLSA-N

• (2-Chloro-3-Nitrophenyl)Methanol
IUPAC Name: (2-chloro-3-nitrophenyl)methanol | CAS Registry Number: 89639-98-5
Synonyms: (2-Chloro-3-nitrophenyl)methanol, Benzenemethanol,2-chloro-3-nitro-, 2-CHLORO-3-NITROBENZYL ALCOHOL, ACMC-20a4e1, SureCN1067704, AGN-PC-003VW7, CTK5G3334, Benzenemethanol, 2-chloro-3-nitro-, ANW-56615, AKOS006285520, AB44058, AG-H-62620, AK-25115, KB-01042, FT-0686425, Benzylalcohol, 2-chloro-3-nitro- (6CI,7CI);(2-Chloro-3-nitrophenyl)methanol;2-Chloro-3-nitrobenzyl alcohol;benzenemethanol, 2-chloro-3-nitro-;

Molecular Formula: C7H6ClNO3Molecular Weight: 187.580440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: MOCPJIDJALBRIX-UHFFFAOYSA-N

• 3,4,6-Tri-O-acetyl-D-galactal
IUPAC Name: [(2R,3R,4R)-4-acetyloxy-2-(acetyloxymethyl)-3,4-dihydro-2H-pyran-3-yl] acetate | CAS Registry Number: 4098-06-0
Synonyms: Tri-O-acetyl-D-galactal, T2532_SIGMA, 462225_ALDRICH, ZINC01317809, ST5307550, hex-5-enitol, 2,6-anhydro-5-deoxy-, triacetate, 1,3,4-Tri-O-acetyl-2,6-anhydro-5-deoxyhex-5-enitol, 1,2-Dideoxy-3,4,6-tri-O-acetyl-D-lyxo-1-hexenopyranose, InChI=1/C12H16O7/c1-7(13)17-6-11-12(19-9(3)15)10(4-5-16-11)18-8(2)14/h4-5,10-12H,6H2,1-3H

Molecular Formula: C12H16O7Molecular Weight: 272.251240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: LLPWGHLVUPBSLP-IJLUTSLNSA-N

• 1,3-Benzothiazole-6-sulfonyl chloride
IUPAC Name: 1,3-benzothiazole-6-sulfonyl chloride | CAS Registry Number: 181124-40-3
Synonyms: 1,3-benzothiazole-6-sulfonyl chloride, Benzo[d]thiazole-6-sulfonyl chloride, 1,3-benzothiazole-6-sulfonylchloride, 1,3-benzothiazole-6-sulphonyl chloride, AC1MDSRC, 1,3-BENZOTHIAZOLE-, benzothiazol-6-ylchlorosulfone, 6-Benzothiazolesulfonylchloride, 6-Benzothiazolesulfonyl chloride, CTK0H3509, MolPort-000-142-308, ACT08501, ANW-47088, GEO-00282, SBB098144, AKOS005255316, AG-B-76750, CC05903, RP05637, RP28088

Molecular Formula: C7H4ClNO2S2Molecular Weight: 233.695160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: XQOLJTWXFUSVOR-UHFFFAOYSA-N

• 1,3-Oxathiolane-2-carboxylic acid, 5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, (2R,5S)-
IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolane-2-carboxylate | CAS Registry Number: 147027-10-9
Synonyms: SureCN14704975, AKOS016003298, AK-98719

Molecular Formula: C18H27N3O4SMolecular Weight: 381.489680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: QMYKWNYBSBURDT-PJCYRADDSA-N

• (-)-3,4-Dihydroxynorephedrine
IUPAC Name: 4-[(1R,2S)-2-amino-1-hydroxypropyl]benzene-1,2-diol | CAS Registry Number: 829-74-3
Synonyms: levonordefrin, Corbadrine, Neo-Cobefrin, Isoadrenaline, Corbadrina, Corbadrinum, Corbadrin, Nordefrin, (-)-, Corbadrine (INN), Neo-cobefrin (TN), Levonordefrin (USP), Levonordefrin [USAN], Corbadrinum [INN-Latin], Spectrum_001642, Corbadrina [INN-Spanish], alpha-Methylnoradrenaline, 3,4-Dihydroxynorephedrin, Prestwick3_000739, Spectrum2_001055, Spectrum3_000480

Molecular Formula: C9H13NO3Molecular Weight: 183.204420 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 4

InChIKey: GEFQWZLICWMTKF-CDUCUWFYSA-N

• (2r)-3-Phenyl-1,2-Propanediamine
IUPAC Name: (2R)-3-phenylpropane-1,2-diamine | CAS Registry Number: 85612-59-5
Synonyms: (2R)-3-PHENYL-1,2-PROPANEDIAMINE, (R)-3-Phenyl-1,2-propanediamine, SureCN3441656, CTK5F5336, AKOS006278626, AB14684, AG-H-44757, 1,2-Propanediamine,3-phenyl-, (R)-, 1,2-Propanediamine,3-phenyl-, (2R)-, KB-01263, (2R)-3-PHENYLPROPANE-1,2-DIAMINE

Molecular Formula: C9H14N2Molecular Weight: 150.220860 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: CXFFQOZYXJHZNJ-SECBINFHSA-N

• 1,2-Phenylene Phosphorochloridite
IUPAC Name: 2-chloro-1,3,2-benzodioxaphosphole | CAS Registry Number: 1641-40-3
Synonyms: o-Phenylene phosphorochloridite, 155764_ALDRICH, 2-Chloro-1,3,2-benzodioxaphosphole, 1,2-Phenylene phosphorochloridite, CID74232, 1,3,2-Benzodioxaphosphole, 2-chloro-, EINECS 216-690-3, InChI=1/C6H4ClO2P/c7-10-8-5-3-1-2-4-6(5)9-10/h1-4, 60480-12-8

Molecular Formula: C6H4ClO2PMolecular Weight: 174.521521 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: YUJYEGDMJZHLMY-UHFFFAOYSA-N

• 2-Deoxystreptamine, Dihydrobromide
IUPAC Name: 4,6-diaminocyclohexane-1,2,3-triol | CAS Registry Number: 2037-48-1
Synonyms: Deoxystreptamine, 2-Deoxystreptamine, 2-Desoxystreptamine, Streptamine, 2-deoxy-, Streptamine, 2-deoxy- (8CI), C6H14N2O3, CHEBI:287468, 1,2,3-Cyclohexanetriol, 4,6-diamino-, NSC 156938, CID98959, NSC156938, Streptamine, 2-deoxy- (8CI)(9CI), 4,6-Diamino-cyclohexane-1,2,3-triol, LS-173826, 4,6-Diamino-cyclohexane-1,2,3-triol(2-deoxystreptamine)

Molecular Formula: C6H14N2O3Molecular Weight: 162.186960 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 5

InChIKey: DTFAJAKTSMLKAT-UHFFFAOYSA-N

• 2-Amino-5-Nitro Benzophenone
IUPAC Name: (2-amino-5-nitrophenyl)-phenylmethanone | CAS Registry Number: 1775-95-7
Synonyms: 2-Amino-5-nitrobenzophenone, Oprea1_660099, 211737_ALDRICH, EINECS 217-207-9, ZINC03861498, (2-Amino-5-nitrophenyl)phenylmethanone, CID15681, BRN 0748830, SBB000821, METHANONE, (2-AMINO-5-NITROPHENYL)PHENYL-, (2-amino-5-nitrophenyl)(phenyl)methanone, LS-91113, ST5308434, 4-14-00-00246 (Beilstein Handbook Reference)

Molecular Formula: C13H10N2O3Molecular Weight: 242.230100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: PZPZDEIASIKHPY-UHFFFAOYSA-N

• 1,2,3,4-Tetrahydro-4-oxo-carbazole
IUPAC Name: 1,2,3,9-tetrahydrocarbazol-4-one | CAS Registry Number: 15128-52-6
Synonyms: 1,2,3,4-tetrahydro-4-oxocarbazole, 1,2,3,4-Tetrahydrocarbazol-4-one, 1,2,3,9-tetrahydrocarbazol-4-one, 1,2,3,9-TETRAHYDRO-4H-CARBAZOLE-4-ONE, 1,2,3,9-tetrahydro-4H-carbazol-4-one, 1,2,3,9-Tetrahydro-4(H)-carbazol-4-one, 1,2,3,9-Tetrahydro-4H-2-carbozol-4-one, 4-OXO-1,2,3,4 TETRAHYDRO CARBAZOLE, ZINC00519622, PubChem9542, PubChem23342, ACMC-1CCRR, AC1LID4J, SureCN2220752, Jsp002903, AGN-PC-005K74, MolPort-000-703-061, BB_SC-3174, 1,2,3,4-Tetrahydro-4-oxocarbazol, ANW-21335

Molecular Formula: C12H11NOMolecular Weight: 185.221840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: DSXKDTZEIWTHRO-UHFFFAOYSA-N

• (R)-(+)-4-Methyl-1,3-dioxolan-2-one
IUPAC Name: (4R)-4-methyl-1,3-dioxolan-2-one | CAS Registry Number: 16606-55-6
Synonyms: (R)-(+)-Propylene carbonate, (R)-4-Methyl-1,3-dioxolan-2-one, (R)-PropyleneCarbonate, (R)-1,2-PROPYLENE CARBONATE, (R)-1,2-Propanediol cyclic carbonate, (4R)-4-methyl-1,3-dioxolan-2-one, PubChem6059, (R)-Propylene Carbonate, AC1LD3MQ, SureCN748245, KSC493I9J, 540013_ALDRICH, Jsp003338, CTK3J3494, MolPort-001-758-105, ANW-22184, ZINC02041090, (R)-(+)-1,2-Propylene Carbonate, AKOS015840866, AKOS015900872

Molecular Formula: C4H6O3Molecular Weight: 102.088640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: RUOJZAUFBMNUDX-GSVOUGTGSA-N

• 2-Deoxy-3,5-di-O-p-toluoyl-ribofuranosyl Chloride
IUPAC Name: [(2R,3S)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate | CAS Registry Number: 3601-89-6
Synonyms: (2R,3S)-5-chloro-2-(((4-methylbenzoyl)oxy)methyl)tetrahydrofuran-3-yl 4-methylbenzoate, 3,5-Di-O-p-toluyl-2-deoxy-a-D-ribofuranosyl chloride, PubChem19393, PubChem19394, SureCN119054, 2-Deoxy-3,5-di-O-p-toluoyl-D-erythro-pentofuranosyl chloride, MolPort-016-581-141, 4330-21-6, ANW-47231, AKOS015919626, AG-F-25320, AK-77097, BR-77097, D-erythro-Pentofuranosylchloride, 2-deoxy-, bis(4-methylbenzoate) (9CI);D-erythro-Pentofuranosylchloride, 2-deoxy-, di-p-toluate (7CI,8CI);Ribofuranosyl chloride, 2-deoxy-,di-p-toluate, D- (6CI);2-Deoxy-3,5-di-O-p-toluoyl-D-erythro-pentofuranosylchloride;3,5-Di-O-p-toluoyl-2-deoxy-D-ribofuranosyl chloride;

Molecular Formula: C21H21ClO5Molecular Weight: 388.841440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: FJHSYOMVMMNQJQ-PAMZHZACSA-N

• 2,6-Dimethyl Phenoxy Acetic Acid
IUPAC Name: 2-(2,6-dimethylphenoxy)acetic acid | CAS Registry Number: 13335-71-2
Synonyms: 2,6-Dimethylphenoxy acetate, (2,6-Dimethylphenoxy)acetic acid, ARONIS004991, Acetic acid, (2,6-xylyloxy)-, CID101369, NSC408599, SBB015396, Acetic acid, (2,6-dimethylphenoxy)-, NSC 408599, (2,6-DIMETHYL-PHENOXY)-ACETIC ACID, Acetic acid, (2,6-xylyloxy)- (8CI), BAS 16434996, Acetic acid, (2,6-dimethylphenoxy)- (9CI), DBA

Molecular Formula: C10H12O3Molecular Weight: 180.200480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: MLBCURLNKYKBEQ-UHFFFAOYSA-N

• (R)-(+)-9-(2-Hydroxypropyl)adenine
IUPAC Name: (2R)-1-(6-aminopurin-9-yl)propan-2-ol | CAS Registry Number: 14047-28-0
Synonyms: (R)-9-(2-hydroxypropyl) adenine, (R)-(+)-9-(2-HYDROXYPROPYL)ADENINE, (R)-1-(6-Amino-9H-purin-9-yl)propan-2-ol, 9-HYDROXYPROPYLADENINE, R-ISOMER, (2R)-1-(6-aminopurin-9-yl)propan-2-ol, 9-hydroxypropyladenine, s-isomer, AG-D-81161, PubChem9984, AC1L9HLR, SureCN1393316, KSC522E2H, CTK4C2223, (R)-9-(2-Hydroxypropyl)adenine, MolPort-019-903-826, ANW-46026, SBB070343, ZINC02046906, AKOS006286534, AKOS015855516, AG-C-19507

Molecular Formula: C8H11N5OMolecular Weight: 193.205840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: MJZYTEBKXLVLMY-RXMQYKEDSA-N

• (1,3-Dioxo-1,3-Dihydro-2h-Isoindol-2-Yl)Acetaldehyde
IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)acetaldehyde | CAS Registry Number: 2913-97-5
Synonyms: Phthalimideacetaldehyde, Phthalimidoacetaldehyde, Phthalylglycine aldehyde, Acetaldehyde, phthalimido-, N-Phthalylaminoacetaldehyde, Phthalimide, N-(formylmethyl)-, N-(2-oxo-ethyl)-phthalimide, WLN: T56 BVNVJ C1VH, 2-Isoindolineacetaldehyde, 1,3-dioxo-, NSC 30242, ALBB-006933, NSC30242, BRN 0154145, LS-109475, TL8002294, 2H-Isoindole-2-acetaldehyde, 1,3-dihydro-1,3-dioxo-, 4-21-00-05126 (Beilstein Handbook Reference), (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetaldehyde, 2H-Isoindole-2-acetaldehyde, 1,3-dihydro-1,3-dioxo- (9CI)

Molecular Formula: C10H7NO3Molecular Weight: 189.167480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: LMRDBJZQDUVCQH-UHFFFAOYSA-N

• (S)-1-(2-Chloroacetyl)Pyrrolidine-2-Carbonitrile
IUPAC Name: (2S)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile | CAS Registry Number: 207557-35-5
Synonyms: (2S)-1-(Chloroacetyl)-2-pyrrolidinecarbonitrile, (S)-1-(2-Chloroacetyl)pyrrolidine-2-carbonitrile, (S)-1-(2-Chloroacetyl)-pyrrolidine-2-carbonitrile, SBB066751, (2S)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile, (S)-1-(2-Chloro-acetyl)-pyrrolidine-2-carbonitrile, PubChem16324, SureCN605418, KSC201Q9R, Jsp004252, CTK1A1898, MolPort-004-760-290, ACT04998, ANW-47909, ZINC16697477, AKOS006291018, AKOS016015838, AB48307, AG-C-82100, AG-E-52276

Molecular Formula: C7H9ClN2OMolecular Weight: 172.612160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: YCWRPKBYQZOLCD-LURJTMIESA-N

• (R)-tert-Butanethiosulfinate
IUPAC Name: 2-[(R)-tert-butylsulfinyl]sulfanyl-2-methylpropane | CAS Registry Number: 67734-35-4
Synonyms: (R)-S-tert-butyl 2-methylpropane-2-sulfinothioate, MolPort-005-938-070, ZINC04621016, RL04591, AK111546

Molecular Formula: C8H18OS2Molecular Weight: 194.357920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ZFKIFCIQBZYNIQ-LLVKDONJSA-N

• (E)-5-(2-Bromovinyl)uracil
IUPAC Name: 5-[(E)-2-bromoethenyl]-1H-pyrimidine-2,4-dione | CAS Registry Number: 69304-49-0
Synonyms: Bromovinyluracil, BV uracil, 5-bromovinyluracil, 5-(2-Bromovinyl)uracil, C6H5BrN2O2, CCRIS 5284, 457442_ALDRICH, AIDS187029, AIDS-187029, BRN 0744244, LS-135118, (E)-5-(2-Bromoethenyl)-2,4(1H,3H)-pyrimidinedione, 5-24-07-00368 (Beilstein Handbook Reference), 2,4(1H,3H)-Pyrimidinedione, 5-(2-bromoethenyl)-, (E)-

Molecular Formula: C6H5BrN2O2Molecular Weight: 217.020100 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: BLXGZIDBSXVMLU-OWOJBTEDSA-N

• ( R)-(-)-2,2-Dimethyl-5-oxo-1,3-dioxolane-4-acetic acid
IUPAC Name: 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid | CAS Registry Number: 113278-68-5
Synonyms: SBB053468, (R)-(-)-2,2-Dimethyl-5-oxo-1,3-dioxolane-4-acetic acid, AC1Q2CRK, SureCN473047, [(4R)-2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid, 460028_ALDRICH, CTK0H2930, MolPort-001-791-004, AKOS015893968, AG-D-32992, AK-55396, FT-0667497, I04-8903, (R)-2-(2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid, 1,3-Dioxolane-4-aceticacid, 2,2-dimethyl-5-oxo-, (4R)-, 2-((4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid, 1,3-Dioxolane-4-aceticacid, 2,2-dimethyl-5-oxo-, (R)-;2-((R)-2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid;2-((R)-2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid;[(R)-2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid

Molecular Formula: C7H10O5Molecular Weight: 174.151300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: IDQOCLIWDMZKBZ-SCSAIBSYSA-N

• (+)-O-Desmethyl Tramadol hydrochloride
IUPAC Name: 3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]phenol;hydrochloride | CAS Registry Number: 148262-77-5
Synonyms: O-Desmethyl Tramadol Hydrochloride, EM 723, 185453-02-5, (+)-O-Desmethyltramadol hydrochloride, (+)-O-Desmethyl Tramadol Hydrochloride, Phenol, 3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]-, hydrochloride (1:1), O-Desmethyltramadol HCl, UNII-XL5VDC061E, Phenol, 3-[2-[(dimet, SureCN2518899, O-demethyltramadol hydrochloride, CTK8G2151, AG-G-93444, FT-0666239, hylamino)methyl]-1-hydroxycyclohexyl]-, hydrochloride, (1R-cis)-, (1R-cis)-3-[2-[(Dimethylamino)methyl]-1-hydroxycyclohexyl]phenol Hydrochloride, 2-[(rel-1R, 2R)(Dimethylamino)methyl]-1-(m-hydroxyphenyl)cyclohexanol Hydrochloride, 3-[(1R,2R)-2-[(Dimethylamino)methyl]-1-hydroxycyclohexyl]phenol Hydrochloride, 3-[(rel-1R,2R)2-[(Dimethylamino)methyl]-1-hydroxycyclohexyl]phenol Hydrochloride, Phenol, 3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycyclohexyl)-, hydrochloride, rel-

Molecular Formula: C15H24ClNO2Molecular Weight: 285.809560 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: IRGWVAWLHXDKIX-PBCQUBLHSA-N

• 1-Myristoyl-3-chloropropanediol
IUPAC Name: 1-chloro-3,3-dihydroxyheptadecan-4-one | CAS Registry Number: 30557-03-0
Synonyms: 1-MYRISTOYL-3-CHLOROPROPANEDIOL, CTK4G5408, KB-160122

Molecular Formula: C17H33ClO3Molecular Weight: 320.895120 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: AJKXGBYZSYGOGR-UHFFFAOYSA-N

• 7alpha-Hydroxycholesterol-25,26,26,26-27,27,27-D7
IUPAC Name: (3S,7S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-5,6,6,6-tetradeuterio-5-(trideuteriomethyl)hexan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol | CAS Registry Number: 349553-94-2

Molecular Formula: C26H44O2Molecular Weight: 395.679 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: HKTLZNPSEKWWSW-AXVNBPJJSA-N

• 17-Ethynylestriol
IUPAC Name: (8R,13S,16R,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,16,17-triol | CAS Registry Number: 4717-40-2
Synonyms: CTK8F3210, AG-F-60763

Molecular Formula: C20H24O3Molecular Weight: 312.402760 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: VSODIPLKPBLGCC-DFCHBNGBSA-N

• (S)-Mephenytoin
IUPAC Name: (5S)-5-ethyl-3-methyl-5-phenylimidazolidine-2,4-dione | CAS Registry Number: 70989-04-7
Synonyms: S-Mephenytoin, Mephenytoin, D-, MEPHENYTOIN, (S)-(+)-Mephenytoin, UC175_SIGMA, CID107921, ZINC00896648, NCGC00160394-01, (S)-(+)-5-Ethyl-3-methyl-5-phenylhydantoin, (5S)-5-Ethyl-3-methyl-5-phenyl-2,4-imidazolidinedione, (S)-(+)-5-Ethyl-3-methyl-5-phenyl-2,4-imidazolidinedione, 2,4-Imidazolidinedione, 5-ethyl-3-methyl-5-phenyl-, (S)-

Molecular Formula: C12H14N2O2Molecular Weight: 218.251760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GMHKMTDVRCWUDX-LBPRGKRZSA-N

• 1,2,3,4-Tetra-O-Acetyl-6-Diphenylphosphoryl-Beta-D-Mannopyranose
IUPAC Name: [(3R,4S,5R,6S)-4,5,6-triacetyloxy-2-(diphenoxyphosphoryloxymethyl)oxan-3-yl] acetate | CAS Registry Number: 108321-48-8
Synonyms: 1,2,3,4-Tetra-O-acetyl-6-diphenylphosphoryl-beta-D-mannopyranose, CTK8E7088, FT-0606204

Molecular Formula: C26H29O13PMolecular Weight: 580.474422 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 13

InChIKey: IKZZNFIJWMQZMQ-NZFACQQJSA-N

• 1,3,4,6-Tetra-O-Acetyl-2-O-Trifluoromethylsulfonyl-B-D-Mannopyranose(mannose Triflate)
IUPAC Name: [3,4,6-triacetyloxy-5-(trifluoromethylsulfonyloxy)oxan-2-yl]methyl acetate | CAS Registry Number: 92051-23-5
Synonyms: MolPort-000-165-556, CID2782943, [3,4,6-triacetyloxy-5-(trifluoromethylsulfonyloxy)oxan-2-yl]methyl Acetate, 1,3,4,6-Tetra-O-acetyl-2-O-trifluoromethanesulfonyl-beta-D-mannopyranose

Molecular Formula: C15H19F3O12SMolecular Weight: 480.364370 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 15

InChIKey: OIBDVHSTOUGZTJ-UHFFFAOYSA-N

• (2E)-N-(4-Bromophenyl)-3-Ethoxy-2-Propenamide
IUPAC Name: N-(4-bromophenyl)-3-ethoxyprop-2-enamide | CAS Registry Number: 327058-51-5
Synonyms: (2E)-N-(4-BROMOPHENYL)-3-ETHOXY-2-PROPENAMIDE, SureCN3973119, CTK4G9162, CTK8I2157, AG-F-09549, 2-Propenamide,N-(4-bromophenyl)-3-ethoxy-, (2E)-, (2E)-N-(4-Bromophenyl)-3-(ethyloxy)-2-propenamide;(2E)-N-(4-Bromophenyl)-3-ethoxy-2-propenamide;(2E)-N-(4-Bromophenyl)-3-ethoxyprop-2-enamide;

Molecular Formula: C11H12BrNO2Molecular Weight: 270.122480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: VIIWJXDWZVDVTN-UHFFFAOYSA-N

• 2-Bromobenzene-1,3,5-D3
IUPAC Name: 2-bromo-1,3,5-trideuteriobenzene | CAS Registry Number: 13122-41-3
Synonyms: 2-Bromobenzene-1,3,5-d3, Benzene-1,3,5-d3, 2-bromo-

Molecular Formula: C6H5BrMolecular Weight: 160.026385 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: QARVLSVVCXYDNA-NHPOFCFZSA-N

• 3-Hydroxy carbamazepine
IUPAC Name: 9-hydroxybenzo[b][1]benzazepine-11-carboxamide | CAS Registry Number: 68011-67-6
Synonyms: 3-Hydroxycarbamazepine, MolPort-003-847-785, CID135290, ZINC06117175, 3-Hydroxy-5H-dibenz(b,f)azepine-5-carboxamide, C16602, 5H-Dibenz(b,f)azepine-5-carboxamide, 3-hydroxy-

Molecular Formula: C15H12N2O2Molecular Weight: 252.267980 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: QQCFBZCATDIWTH-UHFFFAOYSA-N

• 2,2-Diphenylpentanoic acid
IUPAC Name: 2,2-diphenylpentanoic acid | CAS Registry Number: 841-32-7
Synonyms: Diphenylpropylacetic acid, 2,2-Diphenylvaleric acid, Valeric acid, 2,2-diphenyl-, SKF 2314, MolPort-003-846-967, CID96732, NSC88046, EINECS 212-665-6, NSC 88046, DAH1654431, Benzeneacetic acid, alpha-phenyl-alpha-propyl-, Benzeneacetic acid, .alpha.-phenyl-.alpha.-propyl-

Molecular Formula: C17H18O2Molecular Weight: 254.323620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: IVYXLCYENQNVHM-UHFFFAOYSA-N

• 2,6-Dimethylaniline-D6
IUPAC Name: 2,6-bis(trideuteriomethyl)aniline | CAS Registry Number: 919785-81-2
Synonyms: 2,6-Dimethylaniline-d6, CTK8F3874, FT-0667311

Molecular Formula: C8H11NMolecular Weight: 127.216611 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: UFFBMTHBGFGIHF-WFGJKAKNSA-N

• (R)-5-Chloro-alpha-(cyclopropylethynyl)-2-amino-alpha-(trifluoromethyl)benzenemethanol
IUPAC Name: (2R)-2-(2-amino-5-chlorophenyl)-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-ol | CAS Registry Number: 927812-33-7
Synonyms: CTK8E9659, ZINC22054360, RL05840, FT-0664604, (R)-5-Chloro-alpha-(cyclopropylethynyl)-2-amino-alpha-(trifluoromethyl) benzenemethanol, (R)-5-CHLORO-ALPHA-(CYCLOPROPYLETHYNYL)-2-AMINO-ALPHA-(TRIFLUOROMETHYL)BENZENEMETHANOL

Molecular Formula: C13H11ClF3NOMolecular Weight: 289.680750 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: KEMUGFRERPPUHB-GFCCVEGCSA-N

• 1-Bromoheptane-D15
IUPAC Name: 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecadeuterioheptane | CAS Registry Number: 98195-42-7
Synonyms: 1-BROMOHEPTANE-D15

Molecular Formula: C7H15BrMolecular Weight: 194.190427 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: LSXKDWGTSHCFPP-PMELWRBQSA-N

• 1 3-Dichloro Propene
IUPAC Name: (E)-1,3-dichloroprop-1-ene | CAS Registry Number: 542-75-6
Synonyms: Telone II, Dorlone, Nematox, Telone, Nemex, trans-Telone, Dorlone II, Telone C, Di-Trapex CP, Telone II-B, Tri-Form, Telone EC, 1,3-Dichloropropylene, Telone C17, Telone IIR, trans-1,3-Dichloropropene, DICHLOROPROPENE, cis-Dichloropropene, 1-Propene, 1,3-dichloro-, Propene, 1,3-dichloro-

Molecular Formula: C3H4Cl2Molecular Weight: 110.969860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: UOORRWUZONOOLO-OWOJBTEDSA-N

• 25-O-Deacetyl Rifabutin
Synonyms: 25-Desacetylrifabutin, LM 565, LM-565, CID6438865, 25-O-Deacetyl-1',4-didehydro-1-deoxy-1,4-dihydro-5'-(2-methylpropyl)-1-oxorifamycin XIV, Rifamycin XIV, 25-O-deacetyl-1',4-didehydro-1-deoxy-1,4-dihydro-5'-(2-methylpropyl)-1-oxo-

Molecular Formula: C44H60N4O10Molecular Weight: 804.968000 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 13

InChIKey: DEOYQVBCXCVHII-GSNHDGFMSA-N

• (+)-N-Desmethyl Tramadol
IUPAC Name: (1R,2R)-1-(3-methoxyphenyl)-2-(methylaminomethyl)cyclohexan-1-ol | CAS Registry Number: 147762-57-0
Synonyms: (-)-N-Desmethyl Tramadol, Nortramadol, Cyclohexanol, 1-(3-methoxyphenyl)-2-[(methylamino)methyl]-, (1R,2R)-, Cyclohexanol, 1-(3-methoxyphenyl)-2-[(methylamino)methyl]-, cis-(+)-, N-Monodesmethyltramadol, rac N-Desmethyl Tramadol, SureCN13942259, cis-(+/-)-N-Demethyltramadol, CTK8E8493, 147762-58-1, 75377-45-6, cis-(+)-1-(3-Methoxyphenyl)-2-[(methylamino)methyl]-cyclohexanol, (1R,2R)-(+)-1-(3-Methoxyphenyl)-2-[(methylamino)methyl]-cyclohexanol, (1R,2R)-rel-1-(3-Methoxyphenyl)-2-[(methylamino)methyl]-cyclohexanol

Molecular Formula: C15H23NO2Molecular Weight: 249.348620 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: VUMQHLSPUAFKKK-HIFRSBDPSA-N

• 5,25R-Cholesten-3beta,26-diol
IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,6R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol | CAS Registry Number: 20380-11-4
Synonyms: 27-hydroxycholesterol, 26-Hydroxycholesterol, Cholest-5-ene-3beta,27-diol, CHEBI:387060, CID123976, LMST01010088, Cholest-5-ene-3beta,26-diol, (25R)-, Cholest-5-ene-3,26,diol, (3beta,25R)-, 17-(6-Hydroxy-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

Molecular Formula: C27H46O2Molecular Weight: 402.652940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: FYHRJWMENCALJY-YSQMORBQSA-N

• 22(S)-Hydroxycholesterol
IUPAC Name: (3S,8S,9S,10R,13S,14S,17R)-17-[(2S,3S)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol | CAS Registry Number: 22348-64-7
Synonyms: 22-Hydroxycholesterol, 22beta-Hydroxycholesterol, H5884_SIGMA, CHEBI:1301, 5-Cholestene-3beta,22(S)-diol, MolPort-003-941-681, CID168038, (3beta,22S)-Cholest-5-ene-3,22-diol, (22S)-cholest-5-ene-3beta,22-diol, Cholest-5-ene-3,22-diol, (3beta,22S)-

Molecular Formula: C27H46O2Molecular Weight: 402.652940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: RZPAXNJLEKLXNO-QUOSNDFLSA-N

• 7beta-Hydroxycholesterol-25,26,26,26-27,27,27-D7
IUPAC Name: (3S,7R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-5,6,6,6-tetradeuterio-5-(trideuteriomethyl)hexan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol | CAS Registry Number: 349553-97-5

Molecular Formula: C26H44O2Molecular Weight: 395.679 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: HKTLZNPSEKWWSW-KXSSCKPSSA-N

• 2'-Deoxyuridine-5,6-D2
IUPAC Name: 5,6-dideuterio-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione | CAS Registry Number: 40632-23-3

Molecular Formula: C9H12N2O5Molecular Weight: 230.216 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: MXHRCPNRJAMMIM-AQAQJVFASA-N

• 19-Hydroxyandrostendione-19-D2
IUPAC Name: (8R,9S,10S,13S,14S)-10-[dideuterio(hydroxy)methyl]-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione | CAS Registry Number: 71995-64-7
Synonyms: 19-Hydroxy Androstendione-19-d2, NSC 74233-d2, Androst-4-en-19-ol-3,17-dione-d2, Androst-4-ene-3,17-dione-19-ol-d2, 19-Hydroxyandrost-4-ene-3,17-dione-19,19-d2

Molecular Formula: C19H26O3Molecular Weight: 304.420264 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: XGUHPTGEXRHMQQ-HLWDEJRRSA-N

• (+/-)-Metanephrine hydrochloride
IUPAC Name: 4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxyphenol hydrochloride | CAS Registry Number: 881-95-8
Synonyms: Metanephrine HCl, Prestwick_906, Metanephrine hydrochloride, Metanephrine hydrochloride DL, (+-)-Metanephrine hydrochloride, EINECS 212-922-2, MolPort-003-958-856, Adrenaline, 3-methoxy-, hydrochloride, EINECS 225-809-8, CID102502, LS-30766, LT00451990, alpha-((Methylamino)methyl)vanillyl alcohol hydrochloride, (+-)-alpha-((Methylamino)methyl)vanillyl alcohol hydrochloride, Vanillyl alcohol, alpha-((methylamino)methyl)-, hydrochloride, (+-)-4-Hydroxy-3-methoxy-alpha-((methylamino)methyl)benzenemethanol hydrochloride, Benzenemethanol, 4-hydroxy-3-methoxy-alpha-((methylamino)methyl)-, hydrochloride, (+-)-, Vanillyl alcohol, alpha-((methylamino)methyl)-, hydrochloride (8CI), 5090-31-3

Molecular Formula: C10H16ClNO3Molecular Weight: 233.691940 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 4

InChIKey: HRIQFVCFOPJYEQ-UHFFFAOYSA-N

• 2-Chloroethyl-D4 methyl sulfide
IUPAC Name: 1-chloro-1,1,2,2-tetradeuterio-2-methylsulfanylethane | CAS Registry Number: 93709-60-5
Synonyms: 2-CHLOROETHYL-D4METHYLSULFIDE

Molecular Formula: C3H7ClSMolecular Weight: 114.630327 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: MYFKLQFBFSHBPA-RRVWJQJTSA-N

• (R)-Aminocarnitine
IUPAC Name: (3R)-3-amino-4-(trimethylazaniumyl)butanoate | CAS Registry Number: 98063-21-9
Synonyms: emeriamine, Aminocarnitine, 3-Amino-4-trimethylaminobutyric acid, CID121830, LS-186823, 1-Propanaminium, 2-amino-3-carboxy-N,N,N-trimethyl-, hydroxide, inner salt, (R)-

Molecular Formula: C7H16N2O2Molecular Weight: 160.214140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: DAWBGYHPBBDHMQ-ZCFIWIBFSA-N

• 1,2-Dibromoethane
IUPAC Name: 1,2-dibromoethane | CAS Registry Number: 106-93-4
Synonyms: Ethylene bromide, sym-Dibromoethane, Aadibroom, Bromofume, Sanhyuum, Soilbrom, Soilfume, Celmide, Edabrom, Kopfume, Unifume, Nephis, Nefis, ETHYLENE DIBROMIDE, Glycol Dibromide, Iscobrome D, Fumo-gas, Dibromoethylene, Pestmaster, dibromoet hane

Molecular Formula: C2H4Br2Molecular Weight: 187.861160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: PAAZPARNPHGIKF-UHFFFAOYSA-N

• 5-Amino-3-(2-thienyl)pyrazole
IUPAC Name: 5-thiophen-2-yl-1H-pyrazol-3-amine | CAS Registry Number: 96799-03-0
Synonyms: 3-(2-Thienyl)-1H-pyrazol-5-amine, 3-(thiophen-2-yl)-1H-pyrazol-5-amine, 5-Thien-2-yl-1H-pyrazol-3-amine, GNF-Pf-1850, 5-(2-thienyl)-1H-pyrazol-3-amine, 5-thiophen-2-yl-1H-pyrazol-3-amine, 5-amino-3-(thien-2-yl)-1h-pyrazole, ST085506, 3-(2-thienyl)pyrazole-5-ylamine, AC1LAXWX, Maybridge1_004097, ACMC-20am19, AC1Q51ID, SureCN1143192, SureCN1665919, 586269_ALDRICH, CHEMBL600711, CTK7D5163, CTK7E0477, HMS553C07

Molecular Formula: C7H7N3SMolecular Weight: 165.215580 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: TXSOLYKLZBJHFF-UHFFFAOYSA-N


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