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• Diphenidol hydrochloride
IUPAC Name: 1,1-diphenyl-4-piperidin-1-ylbutan-1-ol hydrochloride | CAS Registry Number: 3254-89-5
Synonyms: Cephadol, Satanolon, Celmidol, Verterge, Cerrosa, Ansmin, Maniol, Yesdol, Difenidolin, Mecalmin, Pineroro, Tenesdol, Cefadol, Vontrol, Wansar, Diphenidol HCl, difenidol hydrochloride, Cephadol (TN), SKF 478 hydrochloride, Prestwick_886

Molecular Formula: C21H28ClNOMolecular Weight: 345.906120 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: AVZIYZHXZAYGJS-UHFFFAOYSA-N

• Diphenolic Acid
IUPAC Name: 4,4-bis(4-hydroxyphenyl)pentanoic acid | CAS Registry Number: 126-00-1
Synonyms: Diphenolic acid, DPA (VAN), 4,4-Bis(4-hydroxyphenyl)pentanoic acid, NCIStruc1_000380, NCIStruc2_000328, NCIOpen2_002054, Oprea1_138438, B47707_ALDRICH, 4,4-Bis(4-hydroxyphenyl)valeric acid, MLS001061266, NSC34824, 4,4-Bis(p-hydroxyphenyl)pentanoic acid, 4,4-Bis(p-hydroxyphenyl)valeric acid, NSC 3371, EINECS 204-763-2, NSC3371, CID67174, NCI34824, NSC55069, NCGC00013399

Molecular Formula: C17H18O4Molecular Weight: 286.322420 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: VKOUCJUTMGHNOR-UHFFFAOYSA-N

• Dipropylene Glycol Mono Butyl And Methyl Ether
IUPAC Name: 2-(2-methoxypropoxy)propan-1-ol | CAS Registry Number: 34590-94-8
Synonyms: Kino-red, Arcosolv DPM, Dowanol DPM, Glysolv DPM, Ucar solvent 2LM, Dowanol-50B, DPGME, PPG-2 methyl ether, Bis(2-(methoxypropyl) ether, Dipropylene glycol monomethyl ether, Dipropylene glycol methyl ether, (2-Methoxymethylethoxy)propanol, HSDB 2511, Propanol, (2-methoxymethylethoxy)-, Dipropylene glycol, monomethyl ether, EINECS 252-104-2, 1-Propanol, 2-(2-methoxypropoxy)-, CID25485, 1-(2-Methoxyisopropoxy)-2-propanol, 1,4-Dimethyl-3,6-dioxa-1-heptanol

Molecular Formula: C7H16O3Molecular Weight: 148.200140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CUDYYMUUJHLCGZ-UHFFFAOYSA-N

• Dirithromycin
IUPAC Name: (1S,2R,4R,5R,6S,7S,8R,11R,12R,13R,15R,17S)-5-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-11-ethyl-4,12-dihydroxy-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-15-(2-methoxyethoxymethyl)-2,4,6,8,12,17-hexamethyl-10,14-dioxa-16-azabicyclo[11.3.1]heptadecan-9-one | CAS Registry Number: 62013-04-1
Synonyms: Dynabac, Divitross, Noriclan, Valodin, Dynabac (TN), NORTRON, Spectrum_001476, SpecPlus_000868, Prestwick3_000557, Spectrum2_001655, Spectrum3_001630, Spectrum4_000597, Spectrum5_000715, Dirithromycin (USP/INN), BSPBio_000633, BSPBio_003299, KBioGR_001094, KBioSS_001956, MLS000028564, MLS001074061

Molecular Formula: C42H78N2O14Molecular Weight: 835.073720 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 16

InChIKey: WLOHNSSYAXHWNR-DWIOZXRMSA-N

• Disodium Cyanamide
IUPAC Name: disodium cyanamide | CAS Registry Number: 20611-81-8
Synonyms: Disodium cyanamide, Cyanamide, disodium salt, EINECS 243-921-5, CID3015093

Molecular Formula: CH2N2Na2+2Molecular Weight: 88.019520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: RMPWNCZXUIYTJJ-UHFFFAOYSA-N

• Disopyramide phosphate
IUPAC Name: 4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanamide; phosphoric acid | CAS Registry Number: 22059-60-5
Synonyms: Norpace, Rythmodan, disopyramide, Norpace Cr, DISOPYRAMIDE PHOSPHATE, Norpace (TN), SC 7031 phosphate, MLS000028431, D6035_SIGMA, SPECTRUM1500261, DISOPYRAMIDE PHOSPHATE SALT, C21H29N3O.H3O4P, EINECS 244-756-1, Disopyramide phosphate (JAN/USP), Disopyramide phosphate [USAN:BAN:JAN], SC 13957, NCGC00093836-01, NCGC00093836-02, NCGC00093836-03, NCGC00093836-04

Molecular Formula: C21H32N3O5PMolecular Weight: 437.469641 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: CGDDQFMPGMYYQP-UHFFFAOYSA-N

• DL-1-PHENYLPROPYL AMINE
IUPAC Name: 1-phenylpropan-1-amine | CAS Registry Number: 35600-74-9
Synonyms: 1-phenylpropan-1-amine, alpha-Ethylbenzylamine, 1-Phenylpropylamine, 2941-20-0, a-ethylbenzylamine, 1-Phenyl-propylamine, alpha-Phenylpropylamine, 1-phenyl-1-propanamine, alpha-Ethylbenzenemethanamine, BENZYLAMINE, alpha-ETHYL-, AQFLVLHRZFLDDV-UHFFFAOYSA-N, SBB029878, (R)-(+)-1-Amino-1-phenylpropane, Phenylpropan-1-Amine, 1-phenyl-propyl-amine, PubChem21078, ACMC-20a8id, 1-(phenyl)-propylamine, ACMC-1AJHX, 1-Propanamine, phenyl-

Molecular Formula: C9H13NMolecular Weight: 135.206220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: AQFLVLHRZFLDDV-UHFFFAOYSA-N

• DL-2-(2-Chlorophenyl)glycine
IUPAC Name: 2-amino-2-(2-chlorophenyl)acetic acid | CAS Registry Number: 88744-36-9
Synonyms: ()-2-Chlorophenylglycine, 73187_FLUKA, NSC154921, STK138986, ()-alpha-Amino-2-chlorophenylacetic acid, TL8000917

Molecular Formula: C8H8ClNO2Molecular Weight: 185.607620 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: LMIZLNPFTRQPSF-UHFFFAOYSA-N

• DL-2-Amino-2-thiazoline-4-carboxylic acid
IUPAC Name: 2-amino-4,5-dihydro-1,3-thiazole-4-carboxylic acid | CAS Registry Number: 2150-55-2
Synonyms: 2-Amino-4-carboxythiazoline, STOCK2S-05767, EINECS 218-433-0, 2-Amino-2-thiazoline-4-carboxylic acid, NSC 25069, NSC25069, 2-Thiazoline-4-carboxylic acid, 2-amino-, LS-1005, 2-AMINO-4-THIAZOLINE-4-CARBOXYLIC ACID, 4-Thiazolecarboxylic acid, 2-amino-4,5-dihydro-, 2-Amino-4,5-dihydrothiazole-4-carboxylic acid, 2-Amino-delta(2)-thiazoline-4-carboxylic acid, 2-Amino-4,5-dihydro-1,3-thiazole-4-carboxylic acid

Molecular Formula: C4H6N2O2SMolecular Weight: 146.167640 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: VHPXSBIFWDAFMB-UHFFFAOYSA-N

• DL-3-(3,4-Dimethoxyphenyl)-2-methylalanine
IUPAC Name: 2-amino-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid | CAS Registry Number: 10128-06-0
Synonyms: 2-amino-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid, 3,4-DIMETHOXY-alpha-METHYL-DOPA, ST025330, (2s)-2-amino-3-(3,4-dimethoxyphenyl)-2-methyl-propanoic acid, L-Dopa antagonist, L -Dopa antagonist, AC1MYGWV, SureCN6339567, TimTec1_002089, CTK8G4295, HMS1539O21, AKOS013804074, AB00514708, A800366, I01-2058, 2-azanyl-3-(3,4-dimethoxyphenyl)-2-methyl-propanoic acid

Molecular Formula: C12H17NO4Molecular Weight: 239.267680 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: QCCQWLWXLUTSAK-UHFFFAOYSA-N

• DL-Adrenaline Hydrochloride
IUPAC Name: [2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-methylazanium chloride | CAS Registry Number: 329-63-5
Synonyms: d-Epinephrine hydrochloride, Epinephrine dl- hydrochloride, (+-)-Adrenaline hydrochloride, (+-)-Epinephrine hydrochloride, EPINEPHRINE SALT (HCL), EINECS 206-346-0, LS-42885, LS-42886, (1)-4-(1-Hydroxy-2-(methylamino)ethyl)pyrocatechol hydrochloride, 1,2-Benzenediol, 4-(1-hydroxy-2-(methylamino)ethyl)-, hydrochloride, (+-)-3,4-Dihydroxy-alpha-((methylamino)methyl)benzyl alcohol hydrochloride, BENZYL ALCOHOL, 3,4-DIHYDROXY-alpha-((METHYLAMINO)METHYL)-, HYDROCHLORIDE, (+)-, Benzyl alcohol, 3,4-dihydroxy-alpha-((methylamino)methyl)-, hydrochloride, (+-)-, 52134-32-4, 99160-99-3

Molecular Formula: C9H14ClNO3Molecular Weight: 219.665360 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 4

InChIKey: ATADHKWKHYVBTJ-UHFFFAOYSA-N

• DL-Beta-Aminoisobutyric Acid
IUPAC Name: 3-amino-2-methylpropanoic acid | CAS Registry Number: 10569-72-9
Synonyms: 3-Aminoisobutyric acid, 3-Aminoisobutanoate, BAIB, beta-Aminoisobutyric acid, 2-(Aminomethyl)propionic acid, alpha-Methyl-beta-alanine, 2-Methyl-beta-alanine, dl-3-Aminoisobutyric acid, DL-2-Methyl-beta-alanine, 3-Amino-2-methylpropanoate, dl-.beta.-Aminoisobutyric acid, dl-beta-Aminoisobutyric acid, dl-3-Amino-2-methylpropionic acid, 217794_ALDRICH, 3-amino-2-methylpropanoic acid, 2-Methyl-3-aminopropionic acid, 3-Amino-2-methylpropionic acid, (+/-)-3-Aminoisobutyric acid, CHEBI:27389, EINECS 205-644-8

Molecular Formula: C4H9NO2Molecular Weight: 103.119760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: QCHPKSFMDHPSNR-UHFFFAOYSA-N

• DL-CATECHIN
IUPAC Name: (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol hydrate | CAS Registry Number: 88191-48-4
Synonyms: Cianidanol, Catechin hydrate, (+)-Catechin Hydrate, Cianidanol (JAN), (+)-Cyanidol-3, ()-Catechin hydrate, ()-Cyanidol-3, (+/-)-Catechin hydrate, MLS001056745, 22110_ALDRICH, C1251_SIGMA, C1788_SIGMA, C1251_SIAL, C1788_SIAL, 22110_FLUKA, CHEBI:58994, MolPort-003-928-035, CID107957, SMR000326724, trans-3,3',4',5,7-Pentahydroxyflavane

Molecular Formula: C15H16O7Molecular Weight: 308.283340 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 7

InChIKey: OFUMQWOJBVNKLR-NQQJLSKUSA-N

• DL-Cystein
IUPAC Name: 2-amino-3-sulfanylpropanoic acid | CAS Registry Number: 3374-22-9
Synonyms: cysteine, DL-Cysteine, L-cysteine, cisteina, Cystein, Zystein, Hcys, D-cysteine, Cysteine, L-, (+-)-Cysteine, dl-Cysteina [Polish], FREE CYSTEINE, CYSTEINE, DL-, L-HSCH2CH(NH2)COOH, 2-Amino-3-mercaptopropionic acid, 861677_ALDRICH, ARONIS005071, 40912_FLUKA, CHEBI:15356, EINECS 222-160-2

Molecular Formula: C3H7NO2SMolecular Weight: 121.158180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: XUJNEKJLAYXESH-UHFFFAOYSA-N

• dl-cysteine hydrochloride monohydrate
IUPAC Name: 2-amino-3-sulfanylpropanoic acid;hydrate;hydrochloride | CAS Registry Number: 116797-51-4
Synonyms: DL-Cysteine hydrochloride monohydrate, 96998-61-7, DL-Cysteine hydrochloride hydrate, 2-amino-3-mercaptopropanoic acid hydrate hydrochloride, 2-azanyl-3-sulfanyl-propanoic acid hydrate hydrochloride, L-CYSTEINE HCl MONOHYDRATE, DL-Cys HCl H2O, PubChem12372, ACMC-209fdf, ACMC-1BIVH, ACMC-2097kl, DL-Cysteine HCl Monohydrate, C8256_SIGMA, CTK7D4165, MolPort-003-940-840, ANW-16994, AKOS015855411, AG-C-93834, AK-44837, I633

Molecular Formula: C3H10ClNO3SMolecular Weight: 175.634400 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 5

InChIKey: QIJRTFXNRTXDIP-UHFFFAOYSA-N

• DL-Ethylgonendione
IUPAC Name: (8R,9S,10R,13S,14S)-13-ethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione | CAS Registry Number: 23477-67-0
Synonyms: D-Ethylgonendione, 13-ethylgon-4-ene-3,17-dione, 13-Ethyl-gon-4-ene-3,17-dione, 13beta-ethylgon-4-en-3,17-dione, 21800-83-9, Gon-4-ene-3,17-dione, 13-ethyl-, 13-Egedo, 18-Methylestr-4-ene-3,17-dione, DL-Ethylgonedione, (+)-13-Ethylgon-4-ene-3,17-dione, 18-Methyl-19-norandrost-4-ene-3,17-dione, SCHEMBL1422567, MolPort-003-847-259, SBLHOJQRZNGHLQ-ATIFRJIPSA-N, 18-Methylestr-4-en-3,17-dione, 13beta-ethyl-gon-4-en-3,17-dione, 13beta-Ethylgon-4-ene-3,17-dione, AKOS017343453, ZINC238809414, PL005143

Molecular Formula: C19H26O2Molecular Weight: 286.415 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: SBLHOJQRZNGHLQ-ATIFRJIPSA-N

• DL-Glutamine
IUPAC Name: 2,5-diamino-5-oxopentanoic acid | CAS Registry Number: 585-21-7
Synonyms: glutamine, L-glutamine, Levoglutamide, glumin, glutamin, DL Glutamine, Cebrogen, Stimulina, gamma-Glutamine, Hgln, D-glutamine, L-Glutamide, L-Glutamid, 2-aminoglutaramic acid, Miglu-P, Glutamine DL-form, .gamma.-Glutamine, Glutamine, DL-, Glutamic acid amide, (+-)-Glutamine

Molecular Formula: C5H10N2O3Molecular Weight: 146.144500 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: ZDXPYRJPNDTMRX-UHFFFAOYSA-N

• DL-Homocystine
IUPAC Name: 2-amino-4-(3-amino-4-hydroxy-4-oxobutyl)disulfanylbutanoic acid | CAS Registry Number: 870-93-9
Synonyms: HOMOCYSTINE, Oxidized DL-Homocysteine, HOMOCYSTINE, DL-, H0501_SIGMA, NSC11337, 53550_FLUKA, CHEBI:17485, NSC226570, AIDS159849, 4,4'-Dithiobis(2-aminobutyric acid), DL-4,4'-Dithiobis(2-aminobutyric acid), AIDS-159849, NSC43122, EINECS 207-323-8, EINECS 212-803-5, NSC 11337, NSC206271, 4,4'-Dithiobis(2-aminobutyric) acid, 4,4'-Dithiobis[2-aminobutyric acid], NSC 226570

Molecular Formula: C8H16N2O4S2Molecular Weight: 268.353640 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: ZTVZLYBCZNMWCF-UHFFFAOYSA-N

• DL-Leu-DL-Tyr
IUPAC Name: (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid | CAS Registry Number: 19659-00-8
Synonyms: L-LEUCYL-L-TYROSINE, Leucyltyrosine, CHEMBL56099, CHEBI:73591, 968-21-8, (S)-2-((S)-2-Amino-4-methylpentanamido)-3-(4-hydroxyphenyl)propanoic acid, Tyrosine, leucyl-, H-Leu-Tyr-OH, L-Leu-L-Tyr, N-L-Leucyl-L-tyrosine, SureCN2474675, AC1L2E15, CTK0H2293, MolPort-006-112-726, EINECS 213-527-8, ANW-40836, AR-1J3300, AKOS010367110, AKOS015853930, AG-J-66655

Molecular Formula: C15H22N2O4Molecular Weight: 294.346180 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: LHSGPCFBGJHPCY-STQMWFEESA-N

• DL-Malic acid dimethyl ester
IUPAC Name: dimethyl 2-hydroxybutanedioate | CAS Registry Number: 38115-87-6
Synonyms: Dimethyl malate, Dimethyl dl-malate, DimethylL-(-)-Malate, Malic acid, dimethyl ester, dimethyl 2-hydroxybutanedioate, DL-Malic Acid Dimethyl Ester, AG-F-34255, Butanedioic acid, hydroxy-, dimethyl ester, dimethyl 2-oxidanylbutanedioate, 2-Hydroxybutanedioic acid dimethyl ester, 1587-15-1, Dimethy DL(-)-Malate, AC1Q43ZX, KSC495A1T, DL-Apple Acid Dimethyl Ester, AC1L203S, Jsp006689, CTK3J5019, YSEKNCXYRGKTBJ-UHFFFAOYSA-, EINECS 216-448-7

Molecular Formula: C6H10O5Molecular Weight: 162.140600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: YSEKNCXYRGKTBJ-UHFFFAOYSA-N

• DL-Mannitol
IUPAC Name: (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol | CAS Registry Number: 87-78-5
Synonyms: D-mannitol, mannitol, Osmitrol, Mannite, Mannazucker, Osmofundin, Resectisol, Mannidex, Mannigen, Mannistol, Diosmol, Invenex, Osmosal, Isotol, Mannit, Cordycepic acid, Manna sugar, Marine Crystal, Hexahydroxyhexane, manita

Molecular Formula: C6H14O6Molecular Weight: 182.171760 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 6

InChIKey: FBPFZTCFMRRESA-KVTDHHQDSA-N

• DL-Theanine
IUPAC Name: 2-amino-5-(ethylamino)-5-oxopentanoic acid | CAS Registry Number: 34271-54-0
Synonyms: 2-amino-5-(ethylamino)-5-oxopentanoic acid, 2-amino-4-(ethylcarbamoyl)butanoic acid, n-ethylglutamine, NSC21308, ACMC-209hix, L-Theanine (synthetic), AC1Q5OPS, L-Theanine, 99% 1g, SCHEMBL290430, AC1L5G75, CTK6F1961, MolPort-004-964-358, NSC-21308, AKOS006230087, AM82647, AN-5350, L-Theanine (Ngamma-ethyl-L-glutamine), TRA0127721, NCGC00095702-01, AC-23977

Molecular Formula: C7H14N2O3Molecular Weight: 174.200 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: DATAGRPVKZEWHA-UHFFFAOYSA-N

• Dodecyl Isocyanate
IUPAC Name: 1-isocyanatododecane | CAS Registry Number: 4202-38-4
Synonyms: Dodecyl isocyanate, Dodecane, 1-isocyanato-, 389064_ALDRICH, CID77873, EINECS 224-111-0

Molecular Formula: C13H25NOMolecular Weight: 211.343700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: YIDSTEJLDQMWBR-UHFFFAOYSA-N

• Dofetilide
IUPAC Name: N-[4-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethoxy]phenyl]methanesulfonamide | CAS Registry Number: 115256-11-6
Synonyms: Tikosyn, Dofetilida, Dofetilidum, Xelide, Tikosyn (TN), Dofetilidum [INN-Latin], Dofetilida [INN-Spanish], 1-MSPMPE, Dofetilide [USAN:BAN:INN], MLS000759442, MLS001424185, Dofetilide (JAN/USAN/INN), CHEBI:4681, STOCK6S-54336, C19H27N3O5S2, CID71329, DB00204, UK 68,798, NCGC00164549-01, CPD000466333

Molecular Formula: C19H27N3O5S2Molecular Weight: 441.564780 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: IXTMWRCNAAVVAI-UHFFFAOYSA-N

• Dolasetron Mesylate
Synonyms: Anzemet, Anzemet (TN), DOLASETRON MESYLATE, Dolasetron mesylate (USP), CID441346, D00725

Molecular Formula: C20H24N2O6SMolecular Weight: 420.479360 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: PSGRLCOSIXJUAL-UHFFFAOYSA-N

• Domiphen Bromide
IUPAC Name: dodecyl-dimethyl-(2-phenoxyethyl)azanium bromide | CAS Registry Number: 538-71-6
Synonyms: domiphen bromide, Oradol, Bradasol, Bradonit, Bradoral, Fungitex, Bradosol bromide, Fungitex R, Phenododecinium bromide, Oradol (TN), Domipheni bromidum [INN-Latin], HSDB 7236, 247480_ALDRICH, Bromure de domiphene [INN-French], Bromuro de domifeno [INN-Spanish], Domiphen bromide [USAN:BAN:JAN], EINECS 208-702-0, NSC-39415, Domiphen bromide (JAN/USAN/INN), CID10866

Molecular Formula: C22H40BrNOMolecular Weight: 414.463100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: OJIYIVCMRYCWSE-UHFFFAOYSA-M

• Domperidone EP Impurity A
IUPAC Name: 6-chloro-3-piperidin-4-yl-1H-benzimidazol-2-one | CAS Registry Number: 53786-28-0
Synonyms: 552372_ALDRICH, EINECS 258-771-6, CID104607, SBB003137, 5-Chloro-1-(4-piperidyl)-2-benzimidazolinone, 5-Chloro-1,3-dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one

Molecular Formula: C12H14ClN3OMolecular Weight: 251.712060 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: DOAYWDKFDPSTSV-UHFFFAOYSA-N

• Domperidone Maleate
IUPAC Name: (E)-but-2-enedioic acid; 6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one | CAS Registry Number: 99497-03-7
Synonyms: 57808-66-9

Molecular Formula: C26H28ClN5O6Molecular Weight: 541.983420 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: OAUUYDZHCOULIO-WLHGVMLRSA-N

• Doramectin
Synonyms: Doramectin (JAN/USAN/INN), CID11954226, D01129

Molecular Formula: C50H74O14Molecular Weight: 899.114160 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 14

InChIKey: QLFZZSKTJWDQOS-DLZZRMBFSA-N

• Doxazosin mesylate
IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-2-yl)methanone; methanesulfonic acid | CAS Registry Number: 77883-43-3
Synonyms: Cardura, Cardenalin, Progandol, Tensiobas, Cardular, Carduran, Dedralen, Doxazomerck, Prostadilat, Tonocardin, Cardoral, Cardoxan, Diblocin, Doxolbran, Kaltensif, Normathen, Supressin, Alfadil, Doksura, Doxaben

Molecular Formula: C24H29N5O8SMolecular Weight: 547.580760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 12

InChIKey: VJECBOKJABCYMF-UHFFFAOYSA-N

• Doxepin hydrochloride
IUPAC Name: (3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine hydrochloride | CAS Registry Number: 1229-29-4
Synonyms: Doxepin Hydrochloride, Sinequan, Curatin, Adapin, Novoxapin, Aponal, Toruan, Doxepin HCl, Silenor, Zonalon, Doxepine hydrochloride, Novoxapin hydrochloride, Prestwick_187, Cidoxepin hydrochloride, MF 10 HCl, Doxepin Hydrochloride [USAN], C19H21NO.HCl, MLS000069794, MLS001148235, D4526_SIGMA

Molecular Formula: C19H22ClNOMolecular Weight: 315.837080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: MHNSPTUQQIYJOT-SJDTYFKWSA-N

• Doxorubicin
IUPAC Name: (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione | CAS Registry Number: 23214-92-8
Synonyms: doxorubicin, Adriamycin, Adriblastina, Adriablastin, Adriblastin, Doxil, Adriacin, Rubex, Adriblas tina, Doxorubicin HCl, 14-Hydroxydaunomycin, Adriamycin PFS, Adriamycin RDF, 14-Hydroxydaunorubicine, Adriamycin semiquinone, Adriblastina (TN), nchembio809-comp5, DOXO, Doxorubicin Hydrochloride, Doxorubicine [INN-French]

Molecular Formula: C27H29NO11Molecular Weight: 543.519260 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 12

InChIKey: AOJJSUZBOXZQNB-TZSSRYMLSA-N

• Doxycycline
IUPAC Name: (2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione | CAS Registry Number: 564-25-0
Synonyms: doxycycline, Doxytetracycline, Deoxymykoin, Vibramycin, Vibramycine, Vibravenos, Azudoxat, Doxitard, Doxivetin, Investin, Liviatin, Doxycen, Monodox, Ronaxan, Nordox, Spanor, Vibra-tabs, Doxy-Puren, Doxycyclin, Hydramycin

Molecular Formula: C22H24N2O8Molecular Weight: 444.434560 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 10

InChIKey: UEVKMCOZLJYVNG-NMMSOKQRSA-N

• Doxycycline (hyclate)
IUPAC Name: (2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione; ethanol; hydrate; dihydrochloride | CAS Registry Number: 24390-14-5
Synonyms: Periostat, Doryx, Vibra-tabs, Doxycycline hyclate, Periostat (TN), Vibra-tabs (TN), DOXY, Doryx (TN), Doxycycline hyclate (USP), Doxycycline hydrochloride hydrate, Doxycycline hydrochloride hydrate (JP15), D02129, (4S,4aR,5S,5aR,6R,12aS)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide - ethanol (2:1) dihydrochloride hydrate

Molecular Formula: C46H58Cl2N4O18Molecular Weight: 1025.874720 [g/mol]
H-Bond Donor: 16H-Bond Acceptor: 22

InChIKey: QDDHZFKCHWYXJF-QJYIYOKRSA-N

• Doxycycline hydrochloride
IUPAC Name: (2Z,4S,4aR,5S,5aR,6R)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione hydrochloride | CAS Registry Number: 10592-13-9
Synonyms: Doxycycline hyclate, Prestwick_1072, MLS002154032, CID6420082, SMR001233359

Molecular Formula: C22H25ClN2O8Molecular Weight: 480.895500 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 10

InChIKey: VLUQVUWDECWBTL-WGDOXZFCSA-N

• Doxycycline Sulfo-salicylate
IUPAC Name: (2Z)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione; 2-hydroxy-5-sulfobenzoic acid | CAS Registry Number: 60683-15-0
Synonyms: EINECS 262-378-5, CID6454018, 5-Sulphosalicylic acid, compound with 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxonaphthacene-2-carboxamide (1:1)

Molecular Formula: C29H30N2O14SMolecular Weight: 662.618500 [g/mol]
H-Bond Donor: 9H-Bond Acceptor: 16

InChIKey: RGOQBQFOCKQRFS-GNWMQEPYSA-N

• Dropropizine
IUPAC Name: 3-(4-phenylpiperazin-1-yl)propane-1,2-diol | CAS Registry Number: 17692-31-8
Synonyms: dropropizine, Dipropizine, Catabex, Ditustat, Tussilex, Larylin, Katril, Ribex, Dopropizin, Levodropropizine, ()-Dropropizine, (+-)-Dropropizine, Prestwick_670, Catabex (TN), Dropropizine (R,S), Spectrum_000327, Dropropizinum [INN-Latin], Dropropizina [INN-Spanish], Prestwick0_000245, Prestwick1_000245

Molecular Formula: C13H20N2O2Molecular Weight: 236.310100 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: PTVWPYVOOKLBCG-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

• Drostanolone Propionate
IUPAC Name: [(2R,5S,8R,9S,10S,13S,14S,17S)-2,10,13-trimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] propanoate | CAS Registry Number: 521-12-0
Synonyms: Drolban, Blackburn Compound, dromostanolone, Drostanolone, Emdisterone, Permastril, Masterid, Masteril, Masteron, Masterone, drostanolone propionate, MDHT, 2MDTP, Masteron (TN), Medrotestron propionate, Drolban (TN), 2M-DHTP, Dromostanolone proprionate, Medrotestrone propanoate, Medrotestrone propionate

Molecular Formula: C23H36O3Molecular Weight: 360.530140 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: NOTIQUSPUUHHEH-UXOVVSIBSA-N

• Droxidopa
IUPAC Name: (2R,3S)-2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid | CAS Registry Number: 23651-95-8
Synonyms: droxidopa, DOPS, Dops (TN), Droxidopa (JAN/INN), CID443940, threo-3,4-DIHYDROXY PHENYL SERINE, D01277

Molecular Formula: C9H11NO5Molecular Weight: 213.187340 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 6

InChIKey: QXWYKJLNLSIPIN-SFYZADRCSA-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

• Econazole nitrate
IUPAC Name: 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole; nitric acid | CAS Registry Number: 24169-02-6
Synonyms: Spectazole, Pevaryl, Ifenec, Gyno-pevaryl, Epi-pevaryl, Palavale, Gyno-Pevaryl 150, Spectazole (TN), Prestwick_191, Econazole nitrate salt, (+-)-Econazole nitrate, Ambap2106, CCRIS 6031, MLS000028626, MLS001076561, E4632_SIGMA, Econazole nitrate (JAN/USP), SPECTRUM1501185, C18H15Cl3N2O.HNO3, C18H16Cl2N2O.HNO3

Molecular Formula: C18H16Cl3N3O4Molecular Weight: 444.696340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: DDXORDQKGIZAME-UHFFFAOYSA-N

• EDTA Ferric Ammonium
IUPAC Name: azanium; 2-[2-[bis(2-oxido-2-oxoethyl)amino]ethyl-(2-oxido-2-oxoethyl)amino]acetate; iron(3+) | CAS Registry Number: 21265-50-9
Synonyms: EINECS 244-302-2, CID88842, Ethylenediaminetetracetic acid, ferric ammonium salt, LS-195449, Ferrate(1-), ((ethylenedinitrilo)tetraacetato)-, ammonium, Ammonium ((N,N'-ethylenebis(N-(carboxymethyl)glycinato))(4-)-N,N',O,O',ON,ON')ferrate(1-), ammonium iron(3+) 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate, Ferrate(-1), ((N,N'-1,2-ethanediylbis(N-(carboxymethyl)glycinato))(4-)-N,N',O,O',ON,ON')-, ammonium, Ferrate(1-), ((N,N'-1,2-ethanediylbis(N-((carboxy-kappaO)methyl)glycinato-kappaN,kappaO))(4-))-, ammonium, (OC-6-21)-, 11087-25-5, 142340-43-0, 15275-07-7, 192319-44-1, Ferrate(1-), [[N,N'-1,2-ethanediylbis[N-[(carboxy-.kappa.O)methyl]glycinato-.kappa.N,.kappa.O]](4-)]-, ammonium, (OC-6-21)-

Molecular Formula: C10H16FeN3O8Molecular Weight: 362.094340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 10

InChIKey: XNSQZBOCSSMHSZ-UHFFFAOYSA-K

• 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

• Effusanin A
Synonyms: EFFUSANINA, Ambap30220-43-0, CHEMBL2407387, ZINC26893082

Molecular Formula: C20H28O5Molecular Weight: 348.433320 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: PXLVZESUZUOWAJ-SLMDOUBJSA-N

• Elcatonin
Synonyms: Carbocalcitonin, Adevirock, Adevirock (TN), Elcatonin [INN:JAN], Elcatonine [INN-French], Elcatoninum [INN-Latin], Elcatonina [INN-Spanish], Elcatonin (JP15/INN), HC-58, EINECS 262-393-7, (Aminosuberic acid 1,7)-eel calcitonin, LS-61711, D03287, C14H25N5O2.C8H16O.C2H6.2CH5N.CH2O, 1,7-Dicarbacalcitonin, 1-butanoic acid-26-L-aspartic acid-27-L-valine-29-L-alanine-, 1,7-Dicarbacalcitonin (salmon), 1-butanoic acid-26-L-aspartic acid-27-L-valine-29-L-alanine-, 1-Butyric acid-7-(L-2-aminobutyric acid)-26-L-aspartic acid-27-L-valine-29-L-alaninecalcitonin (salmon)

Molecular Formula: C148H244N42O47Molecular Weight: 3363.774160 [g/mol]
H-Bond Donor: 48H-Bond Acceptor: 55

InChIKey: JYSJVJJVLNYRKL-QPHHPWFVSA-N

• Emamectin
Synonyms: MK 243, MK-243, 4''-epi-Methylamino-4''-deoxyavermectin B1, Avermectin B1, 4''-deoxy-4''-(methylamino)-, (4''R)-

Molecular Formula: C97H146O26Molecular Weight: 1728.181540 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 26

InChIKey: WQYWHGOKYSMVFW-ZOKDRQBOSA-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


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