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• H-Pro-hyp-OH
IUPAC Name: 4-hydroxy-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid | CAS Registry Number: 18684-24-7
Synonyms: 4-hydroxy-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic Acid, ST51015095, H-Pro-Hyp-OH, AC1MZUID, PRO-HYDROXY-PRO, prolyl-4-hydroxyproline, AGN-PC-00DV0I, SureCN4433134, CTK8G0211, AKOS010403855, AG-E-36029, A813090, 4-hydroxy-1-(pyrrolidin-2-ylcarbonyl)pyrrolidine-2-carboxylic acid, 4-oxidanyl-1-pyrrolidin-2-ylcarbonyl-pyrrolidine-2-carboxylic acid, 4-hydroxy-1-[oxo(2-pyrrolidinyl)methyl]-2-pyrrolidinecarboxylic acid, (2S)-4-hydroxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid, L-Proline,4-hydroxy-1-L-prolyl-, trans-; Proline, 4-hydroxy-1-L-prolyl- (7CI); Proline,4-hydroxy-1-L-prolyl-, L- (8CI); L-Prolyl-L-hydroxyproline;Prolylhydroxyproline

Molecular Formula: C10H16N2O4Molecular Weight: 228.245040 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: ONPXCLZMBSJLSP-UHFFFAOYSA-N

• H-Tyr(Me)-OH.HCl
IUPAC Name: (2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride | CAS Registry Number: 67423-44-3
Synonyms: (S)-2-Amino-3-(4-methoxyphenyl)propanoic acid hydrochloride, SureCN6434789, AK129312, KB-211113, FT-0641124, M-5210

Molecular Formula: C10H14ClNO3Molecular Weight: 231.676060 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: OWJANEXICRZDJT-FVGYRXGTSA-N

• Halofantrine
IUPAC Name: 3-(dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]propan-1-ol | CAS Registry Number: 69756-53-2
Synonyms: (1)-Halofantrine, Halofantrine [USAN], Prestwick0_001031, Prestwick1_001031, Prestwick2_001031, Prestwick3_001031, Halofantrinum [INN-Latin], Halofantrina [INN-Spanish], BSPBio_001241, SPBio_003092, BPBio1_001366, dl-WR 171669, AIDS008015, AIDS-008015, DB01218, NCGC00179250-01, 36167-63-2 (HYDROCHLORIDE), NCI60_002593, LS-187198, AB00514703

Molecular Formula: C26H30Cl2F3NOMolecular Weight: 500.423710 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: FOHHNHSLJDZUGQ-UHFFFAOYSA-N

• Halofuginone lactate
IUPAC Name: 7-bromo-6-chloro-3-[3-[(3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one; 2-hydroxypropanoic acid | CAS Registry Number: 82186-71-8
Synonyms: CID62895, 7-Bromo-6-chloro-3,3-(3-hydroxy-2-piperidyl)acetonyl-4(3H)-quinazolinone-hydrolactate, 4(3H)-Quinazolinone, 7-bromo-6-chloro-3-(3-(3-hydroxy-2-piperidinyl)-2-oxopropyl)-, trans-, mono(2-hydroxypropanoate)(salt), Propanoic acid, 2-hydroxy-, compd. with trans-(+-)-7-bromo-6-chloro-3-(3-(3-hydroxy-2-piperidinyl)-2-oxopropyl)-4(3H)-quinazolinone (1:1)

Molecular Formula: C19H23BrClN3O6Molecular Weight: 504.759420 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: GATQERNJKZPJNX-NUNOUFIPSA-N

• Halquinol
IUPAC Name: 5-chloroquinolin-8-ol; 7-chloroquinolin-8-ol; 5,7-dichloroquinolin-8-ol | CAS Registry Number: 8067-69-4
Synonyms: Quinolor, Tarquinor, HALQUINOLS, Halquinols [USAN], AIDS106809, AIDS-106809, CID24690, SQ 16,401, 5,7-Dichloro-8-quinolino & 5-chloro-8-quinolino & 7-chloro-8-quinnolinol, 5,7-Dichloro-8-quinolinol mixt. with 5-chloro-8-quinolinol and 7-chloro-8-quinolinol, 8-Quinolinol, 5,7-dichloro-, mixt. with 5-chloro-8-quinolinol and 7-chloro-8-quinolinol, 5,7-Dichloro-8-quinolinol, 5-chloro-8-quinolinol, and 7-chloro-8-quinolinol in proportions resulting naturally from chlorination of 8-quinolinol, 8021-96-3

Molecular Formula: C27H17Cl4N3O3Molecular Weight: 573.254180 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: XCQBENAYFZFNAR-UHFFFAOYSA-N

• Harringtonine
Synonyms: harringtonine, Harringtonin, ZJ-H, Alkaloid C from cephalotaxus, NSC124147, NCI60_000568, C10597, Cephalotaxine, 4-methyl 2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate (ester), Cephalotaxine, 4-methyl 2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate (ester), [3(R)]-, Cephalotaxine, 4-methyl-2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate (ester), [3(R)]-, HT

Molecular Formula: C28H37NO9Molecular Weight: 531.594680 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 10

InChIKey: HAVJATCHLFRDHY-KSZYUSJVSA-N

• HC red 13
IUPAC Name: 2-[4-amino-N-(2-hydroxyethyl)-3-nitroanilino]ethanol;hydrochloride | CAS Registry Number: 94158-13-1
Synonyms: 2,2'-[(4-Amino-3-nitrophenyl)imino]bisethanol hydrochloride, 2,2'-((4-Amino-3-nitrophenyl)imino)bisethanol hydrochloride, HC Red no. 13, SureCN455911, CTK3I7555, MolPort-006-146-016, EINECS 303-083-4, AKOS015891337, AK122162, AB1008670, KB-163785, FT-0642264, A844845, I01-9813, 2,2'-((4-Amino-3-nitrophenyl)azanediyl)diethanol hydrochloride, 2-[4-amino-N-(2-hydroxyethyl)-3-nitroanilino]ethanol hydrochloride, 2-[(4-azanyl-3-nitro-phenyl)-(2-hydroxyethyl)amino]ethanol hydrochloride, Ethanol, 2,2'-((4-amino-3-nitrophenyl)imino)bis-, monohydrochloride

Molecular Formula: C10H16ClN3O4Molecular Weight: 277.704740 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: ASAQRGCLIPUSEK-UHFFFAOYSA-N

• HC red B54
IUPAC Name: 4-(2-hydroxyethylamino)-3-nitrophenol | CAS Registry Number: 65235-31-6
Synonyms: 3-Nitro-p-hydroxyethylaminophenol, EINECS 265-648-0, 4-((2-Hydroxyethyl)amino)-3-nitrophenol, Phenol, 4-((2-hydroxyethyl)amino)-3-nitro-

Molecular Formula: C8H10N2O4Molecular Weight: 198.176000 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: UXKLYBMQAHYULT-UHFFFAOYSA-N

• Hecogenin,Acetate
Synonyms: Hecogenin acetate, HECOGENIN, ACETATE, Oprea1_705613, NSC15489, CID225767, Spirostan-12-one, 3-(acetyloxy)-, (3.beta.,5.alpha.,25R)-, 5.alpha.-Spirostan-12-one, 3.beta.-hydroxy-, acetate, (25R)-

Molecular Formula: C29H44O5Molecular Weight: 472.656660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: CVKZWRTYHCDWTE-UHFFFAOYSA-N

• Helicid
IUPAC Name: 4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzaldehyde | CAS Registry Number: 80154-34-3
Synonyms: HELECIN, ZINC05234422

Molecular Formula: C13H16O7Molecular Weight: 284.261940 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: OLZAGZCCJJBKNZ-UJPOAAIJSA-N

• Heptafluorobenzyl iodide
IUPAC Name: 1-[difluoro(iodo)methyl]-2,3,4,5,6-pentafluorobenzene | CAS Registry Number: 79865-03-5
Synonyms: 1-[Difluoro(iodo)methyl]-2,3,4,5,6-pentafluorobenzene, AG-H-20138, Pentafluoro(difluoroiodomethyl)benzene, ACMC-20aks5, AC1LD5HE, 548111_ALDRICH, CTK5E7192, PC4389Q, MolPort-000-156-194, AKOS007930403, FT-0626899, C-5123, A839773, I01-14950, Benzene,1-(difluoroiodomethyl)-2,3,4,5,6-pentafluoro-, 1-[bis(fluoranyl)-iodanyl-methyl]-2,3,4,5,6-pentakis(fluoranyl)benzene, Benzene,(difluoroiodomethyl)pentafluoro- (9CI); (Difluoroiodomethyl)pentafluorobenzene;Heptafluorobenzyl iodide; Perfluorobenzyl iodide

Molecular Formula: C7F7IMolecular Weight: 343.968192 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: KBTGPFZDZIZYLB-UHFFFAOYSA-N

• Heptafluorobutyrylamidine
IUPAC Name: 2,2,3,3,4,4,4-heptafluorobutanimidamide | CAS Registry Number: 375-19-9
Synonyms: NCIOpen2_003306, NSC71017, CID250985

Molecular Formula: C4H3F7N2Molecular Weight: 212.068842 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 9

InChIKey: HYMJOTOLJAHZCH-UHFFFAOYSA-N

• Heptafluoroisopropyl acrylate
IUPAC Name: 1,1,1,2,3,3,3-heptafluoropropan-2-yl prop-2-enoate | CAS Registry Number: 13057-08-4
Synonyms: ZINC02564824, CID83092, EINECS 235-943-9, 1,2,2,2-Tetrafluoro-1-(trifluoromethyl)ethyl acrylate

Molecular Formula: C6H3F7O2Molecular Weight: 240.075642 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 9

InChIKey: JTCVKNUSIGHJRG-UHFFFAOYSA-N

• Hesperetin dihydrochalcone
IUPAC Name: 3-(3-hydroxy-4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one | CAS Registry Number: 35400-60-3
Synonyms: 1-Propanone, 3-(3-hydroxy-4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)-, 3-(3-Hydroxy-4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone

Molecular Formula: C16H16O6Molecular Weight: 304.294640 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: RWKSTZADJBEXSQ-UHFFFAOYSA-N

• Hexa Methylene Bis Triacetone Diamine
IUPAC Name: N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine | CAS Registry Number: 61260-55-7
Synonyms: A 31 (stabilizer), EINECS 262-679-1, A 31, NCGC00164158-01, LS-75037, ST5319616, 1,6-Hexanediamine, N,N'-bis(2,2,6,6-tetramethyl-4-piperidinyl)-, N,N'-Bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine, N,N'-Bis(2,2,6,6-tetramethyl-4-piperidinyl)-1,6-hexanediamine, 117247-97-9, 197574-47-3, 202997-07-7, 70729-72-5

Molecular Formula: C24H50N4Molecular Weight: 394.680600 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 4

InChIKey: UKJARPDLRWBRAX-UHFFFAOYSA-N

• Hexa-2,4-dienoic acid butyl ester
IUPAC Name: butyl (2E,4E)-hexa-2,4-dienoate | CAS Registry Number: 7367-78-4
Synonyms: Butyl sorbate, n-Butyl sorbate, 2,4-Hexadienoic acid, butyl ester,, Butyl (E,E)-hexa-2,4-dienoate, EINECS 230-911-0, SBB007991, FR-0711, AI3-05089, 2,4-Hexadienoic acid, butyl ester, (E,E)-

Molecular Formula: C10H16O2Molecular Weight: 168.232840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: SCVZKPKDMFXESQ-VSAQMIDASA-N

• Hexadecafluorosebacic acid
IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedioic acid | CAS Registry Number: 307-78-8
Synonyms: Perfluorosebacic acid, Perfluorodecanedioic acid, Hexadecafluorodecanedioic acid, 406619_ALDRICH, Decanedioic acid, hexadecafluoro-

Molecular Formula: C10H2F16O4Molecular Weight: 490.094931 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 20

InChIKey: YPCSMEGZIYWAAZ-UHFFFAOYSA-N

• Hexafluoro-2-(4-tolyl)isopropanol
IUPAC Name: 1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-ol | CAS Registry Number: 2010-61-9
Synonyms: 2-(p-Tolyl)hexafluoroisopropanol, Hexafluoro-2(p-tolyl)isopropanol, ZINC00157911, CID74829, Hexafluoro-2-(p-tolyl)-i-propanol, EINECS 217-928-9, Hexafluoro-2-(p-tolyl)-2-propanol, EC-000.1821, p-Cymen-8-ol, 9,9,9,10,10,10-hexafluoro-, 4-Methyl-alpha,alpha-bis(trifluoromethyl)benzyl alcohol, Benzenemethanol, 4-methyl-alpha,alpha-bis(trifluoromethyl)-

Molecular Formula: C10H8F6OMolecular Weight: 258.160339 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: AOAVZPXKNQAALI-UHFFFAOYSA-N

• Hexafluoro-2-methylisopropyl acrylate
IUPAC Name: (1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl) prop-2-enoate | CAS Registry Number: 53038-41-8
Synonyms: HEXAFLUORO-2-METHYLISOPROPYL ACRYLATE, ZINC02243142, AC1MCSV5, CTK8E6873, MolPort-000-005-578, PC2843, SBB098525, AKOS007930712, AG-F-81465, FT-0605911, C-6337, 1,1,1,3,3,3-Hexafluoro-2-methylisopropyl acrylate, (1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl) prop-2-enoate, 1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl prop-2-enoate, 2,2,2-trifluoro-1-methyl-1-(trifluoromethyl)ethyl prop-2-enoate, 1,1,1,3,3,3-HEXAFLUORO-2-METHYLISOPROPYL ACRYLATE;HEXAFLUORO-2-METHYLISOPROPANOL ACRYLATE;HEXAFLUORO-2-METHYLISOPROPYL ACRYLATE

Molecular Formula: C7H6F6O2Molecular Weight: 236.111759 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: ZGCKGVIUMPSSEG-UHFFFAOYSA-N

• Hexafluoro-DL-valine
IUPAC Name: 2-amino-4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid | CAS Registry Number: 16063-80-2
Synonyms: Hexafluorovaline, CID85954, EINECS 240-207-5, BTB 12858, NSC270745, SR-01000631627-1, (1)-2-Amino-4,4,4-trifluoro-3-(trifluoromethyl)butyric acid, 759-12-6

Molecular Formula: C5H5F6NO2Molecular Weight: 225.089119 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 9

InChIKey: KRNSHCKTGFAMPQ-UHFFFAOYSA-N

• Hexafluoroisopropyl-2-fluoroacrylate
IUPAC Name: 1,1,1,2,3,3-hexafluoropropan-2-yl 2-fluoroprop-2-enoate | CAS Registry Number: 74359-06-1
Synonyms: Hexafluoroisopropyl 2-fluoroacrylate, CTK5D9767, A838102, 1,1,1,2,3,3-hexakis(fluoranyl)propan-2-yl 2-fluoranylprop-2-enoate, 2-fluoro-2-propenoic acid 1,1,1,2,3,3-hexafluoropropan-2-yl ester, 2-Propenoic acid,2-fluoro-, 2,2,2-trifluoro-1-(trifluoromethyl)ethyl ester

Molecular Formula: C6H3F7O2Molecular Weight: 240.075642 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 9

InChIKey: XMIAHFHLQQAVED-UHFFFAOYSA-N

• HMG
IUPAC Name: 6,6-dimethylheptanal | CAS Registry Number: 61489-71-2
Synonyms: Menotrophin, 6,6-dimethylheptanal, SCHEMBL1784550, CBUWTGCATVNMJE-UHFFFAOYSA-N, AKOS013847259

Molecular Formula: C9H18OMolecular Weight: 142.242 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: CBUWTGCATVNMJE-UHFFFAOYSA-N

• Homoorientin
IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one | CAS Registry Number: 4261-42-1
Synonyms: Isoorientin, CHEBI:17965, AIDS026707, AIDS-026707, CID114776, NCGC00163566-01, LS-193057, C01821, 2-(3,4-Dihydroxyphenyl)-6-beta-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-beta-D-glucopyranosyl-5,7-dihydroxy-, (1S)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-D-glucitol

Molecular Formula: C21H20O11Molecular Weight: 448.376900 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 11

InChIKey: ODBRNZZJSYPIDI-VJXVFPJBSA-N

• Huperzine A
Synonyms: Huperzine, Fordine, ()-Selagine, ()-Huperzine A, (+)-Huperzine A, H5777_SIGMA, C15H18N2O, NCGC00159362-02, NCGC00163246-01, NCGC00163246-02, LS-90741, LS-90742, 5,9-Methanocycloocta(b)pyridin-2(1H)-one, 5-amino-11-ethylidene-5,6,9,10-tetrahydro-7-methyl-, 5,9-Methanocycloocta(b)pyridin-2(1H)-one, 5-amino-11-ethylidene-5,6,9,10-tetrahydro-7-methyl-, (5R,9R,11E)-, 5,9-Methanocycloocta(b)pyridin-2(1H)-one, 5-amino-11-ethylidene-5,6,9,10-tetrahydro-7-methyl-, (5R-(5-alpha,9-beta,11E))-, 103735-86-0

Molecular Formula: C15H18N2OMolecular Weight: 242.316220 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: ZRJBHWIHUMBLCN-QDEBKDIKSA-N

• Hydantoic acid
IUPAC Name: (2S)-2-(carbamoylamino)-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid | CAS Registry Number: 28861-00-9
Synonyms: (S)-3-(3,4-dimethoxyphenyl)-2-methyl-2-ureidopropanoic acid, (s)-2-(aminocarbonyl)-amino-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid, PubChem15201, SBB063989, AKOS015889874, AK117560, KB-211338, FT-0657167

Molecular Formula: C13H18N2O5Molecular Weight: 282.292420 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: ZAWWRCDFZPMIQT-ZDUSSCGKSA-N

• Hydrogen fluoridecollidine
IUPAC Name: 2,4,6-trimethylpyridine;hydrofluoride | CAS Registry Number: 45725-47-1
Synonyms: 2,4,6-Trimethylpyridine hydrofluoride, ST50823736, SureCN893225, 2,4,6-collidine hydrofluoride, CTK4I8933, MolPort-001-775-647, 2,4,6-trimethylpyridine, fluoride, 2,4,6-Collidine hydrogen fluoride, SBB086198, AKOS005254867, AG-F-58310, MCULE-8513877930, FT-0627131, A826885, HYDROGEN FLUORIDE 2,4,6-TRIMETHYLPYRIDINE

Molecular Formula: C8H12FNMolecular Weight: 141.185983 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: IDKGEEJHKVNSCI-UHFFFAOYSA-N

• Hydroxocobalamin Acetate
IUPAC Name: acetic acid; cobalt; [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(3R,4Z,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl phosphate | CAS Registry Number: 22465-48-1
Synonyms: Twelvmin, Fresmin S, ACETATOCOBALAMIN, Cobalamin, acetato-, Hydroxocobalamin acetate, Hydroxocobalamine acetate, Cobalamin, acetato- (6CI), EINECS 245-019-7, NCGC00181318-01, LS-54604, Co(Acetato-kappaO)cobinamide dihydrogen phosphate (ester), inner salt, 3'-ester with (5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazole-kappaN3), Cobinamide, acetate (salt) hydroxide, dihydrogen phosphate (ester), inner salt, 3'-ester with 5,6-dimethyl-1-alpha-D-ribofuranosylbenzimidazole, Cobinamide, Co(acetato-kappaO)-, dihydrogen phosphate (ester), inner salt, 3'-ester with (5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazole-kappaN3)

Molecular Formula: C64H92CoN13O16P-2Molecular Weight: 1389.399741 [g/mol]
H-Bond Donor: 10H-Bond Acceptor: 22

InChIKey: JEINOAHBVLNVDD-FIJLCNGJSA-L

• Hydroxy Phenyl Glycine Dane Salt
IUPAC Name: potassium 2-[[(Z)-4-ethoxy-4-oxobut-2-en-2-yl]amino]-2-(4-hydroxyphenyl)acetate | CAS Registry Number: 57938-86-0
Synonyms: EINECS 261-027-3, D-(-)-p-Hydroxyphenylglycine, potassium salt, Schiff base with ethyl acetoacetate, Potassium (R)-((3-ethoxy-1-methyl-3-oxoprop-1-enyl)amino)(4-hydroxyphenyl)acetate, (R)-alpha-((3-Ethoxy-1-methyl-3-oxo-1-propenyl)amino)-4-hydroxybenzeneacetic acid, monopotassium salt, Benzeneacetic acid, alpha-((3-ethoxy-1-methyl-3-oxo-1-propenyl)amino)-4-hydroxy-, monopotassium salt, (alphaR)-

Molecular Formula: C14H16KNO5Molecular Weight: 317.378840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: KCIVNTJLAYJMEK-UOQXYWCXSA-M

• Hydroxyestradienone
IUPAC Name: (8S,13S,14S,17S)-17-hydroxy-13-methyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one | CAS Registry Number: 6218-29-7
Synonyms: CHEMBL2311179, 9(10)-Dehydronandrolone, SureCN3867182, 3-Oxo-4,9-estradien-17|A-ol, 4,9-Estradien-17|A-ol-3-one, 9,10-Dehydro-19-nortestosterone, ZINC04026402, 17|A-Hydroxyestra-4,9-dien-3-one, 17beta-Hydroxyestra-4,9-dien-3-one, 17|A-hydroxy-estra-4,9-dien-3-one, RU 3118, D4162

Molecular Formula: C18H24O2Molecular Weight: 272.381960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: PUQSDJZESAQGQS-OWSLCNJRSA-N

• Hypaconitine
Synonyms: CID441737, C08688

Molecular Formula: C33H45NO10Molecular Weight: 615.711100 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 11

InChIKey: FIDOCHXHMJHKRW-VHQVDBNASA-N

• Hyperoside
IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one | CAS Registry Number: 482-36-0
Synonyms: Hyperin, Hyperosid, Hyperozide, Hyperasid, Hyperin (8CI), Quercetin 3-galactoside, Quercetin-3-galactoside, Quercetin 3-D-galactoside, Quercetin-3-O-galactoside, MLS000759538, MEGxp0_000392, 83388_FLUKA, ACon1_000623, AIDS026341, AIDS-026341, Quercetin 3-O-beta-D-galactopyranoside, EINECS 207-580-6, Quercetin-3-O-galactoside;p Hyperin, Quercetin 3-beta-D-galactopyranoside, CID5281643

Molecular Formula: C21H20O12Molecular Weight: 464.376300 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 12

InChIKey: OVSQVDMCBVZWGM-DTGCRPNFSA-N

• Ibandronate Sodium
IUPAC Name: sodium hydroxy-[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphinate hydrate | CAS Registry Number: 138926-19-9
Synonyms: Boniva, Bondenza, Bondronat, Bonviva, Destara, Boniva (TN), IBANDRONATE SODIUM, Ibandronate sodium hydrate, Ibandronate sodium monohydrate, Ibandronate sodium (USAN), Ibandronate sodium [USAN], BM 21.0955Na.H2O, RPR-102289A, CT-064, BM-21.0955 monosodium salt monohydrate, Ro-200-5450, Ibandronic acid monosodium salt monohydrate, R-484, D04486, Sodium trihydrogen (1-hydroxy-3-(methylpentylamino)propylidene)diphosphonate, monohydrate.

Molecular Formula: C9H24NNaO8P2Molecular Weight: 359.226052 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 9

InChIKey: VBDRTGFACFYFCT-UHFFFAOYSA-M

• Ibuprofen Lysine
IUPAC Name: (2S)-2,6-diaminohexanoic acid; 2-[4-(2-methylpropyl)phenyl]propanoic acid | CAS Registry Number: 57469-77-9
Synonyms: Neoprofen, Solufenum, Neoprofen (TN), IBUPROFEN LYSINE, Ibuprofen lysine (USAN), D06606

Molecular Formula: C19H32N2O4Molecular Weight: 352.468380 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: IHHXIUAEPKVVII-ZSCHJXSPSA-N

• Idarubicin
IUPAC Name: (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione | CAS Registry Number: 58957-92-9
Synonyms: IDARUBICIN, Idarubicina, Idamycin, Idarubicin Hcl, 4-Demethoxydaunomycin, 4-Demethoxydaunorubicin, idarubicin hydrochloride, DMDR, Idarubicine [INN-French], Idarubicinum [INN-Latin], Idarubicina [INN-Spanish], Daunomycin, 4-demethoxy-, 4-Desmethoxydaunorubicin, Idarubicin [INN:BAN], CCRIS 5083, IMI 30, IMI-30, 4-DMD, Lopac0_000600, KBioSS_002388

Molecular Formula: C26H27NO9Molecular Weight: 497.493880 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 10

InChIKey: XDXDZDZNSLXDNA-TZNDIEGXSA-N

• Idebenone
IUPAC Name: 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione | CAS Registry Number: 58186-27-9
Synonyms: idebenone, Cerestabon, Sovrima, Catena, Mnesis, Avan, Idebenonum [Latin], Idebenona [Spanish], Idebenone [INN:JAN], Idebenone (JAN/INN), SNT-MC17, MLS000759487, MLS001424002, QSA-10, BB_NC-1322, C19H30O5, CV 2619, CV-2619, BRN 2001459, ZINC01542890

Molecular Formula: C19H30O5Molecular Weight: 338.438500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: JGPMMRGNQUBGND-UHFFFAOYSA-N

• Imidocarb
IUPAC Name: 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea | CAS Registry Number: 27885-92-3
Synonyms: Imizad (dipropionate), Imizol (dipropionate), Imidocarbe [INN-French], Imidocarbum [INN-Latin], Imidocarbo [INN-Spanish], Imidocarb [INN:BAN], Imidocarb dihydrochloride, 4A65 (dihydrochloride), Imizocarb (dihydrochloride), TimTec1_002508, C19H20N6O, CHEBI:51804, EINECS 248-711-7, NSC 51189, AIDS000226, AIDS-000226, CID21389, NSC51189, BRN 0964732, 1,3-Bis(3-(2-imidazolin-2-yl)phenyl)urea

Molecular Formula: C19H20N6OMolecular Weight: 348.401700 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: SCEVFJUWLLRELN-UHFFFAOYSA-N

• Imidocarb dipropionate
IUPAC Name: 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea; propanoic acid | CAS Registry Number: 55750-06-6
Synonyms: MLS001336005, MLS001336006, EINECS 259-791-8, CID114961, SMR000875323, N,N'-Bis(3-(4,5-dihydro-1H-imidazol-2-yl)phenyl)urea dipropionate, Propanoic acid, compd. with N,N'-bis(3-(4,5-dihydro-1H-imidazol-2-yl)phenyl)urea (2:1)

Molecular Formula: C22H26N6O3Molecular Weight: 422.480240 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 7

InChIKey: IRPJGGHUXQZOQW-UHFFFAOYSA-N

• Iminodibenzyl Carbonyl Chloride
IUPAC Name: 5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl chloride | CAS Registry Number: 33948-19-5
Synonyms: 308943_ALDRICH, Iminodibenzyl-5-carbonyl chloride, ZINC00336099, EINECS 251-756-5, CID118579, ST5411497, AN-668/25043001, 10,11-Dihydro-dibenz[b,f]azepine-5-carbonyl chloride, 5-Chlorcarbonyl-10,11-dihydro-5H-dibenz[b,f]-azepin, 10,11-Dihydro-5H-dibenz(b,f)azepine-5-carbonyl chloride, 10,11-Dihydro-5H-dibenzo[b,f]azepine-5-carbonyl chloride, 5H-Dibenz[b,f]azepine-5-carbonyl chloride, 10,11-dihydro-

Molecular Formula: C15H12ClNOMolecular Weight: 257.714880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: COHHZMJBMIHLGF-UHFFFAOYSA-N

• Iminostilbene Carbonyl Chloride
IUPAC Name: benzo[b][1]benzazepine-11-carbonyl chloride | CAS Registry Number: 33948-22-0
Synonyms: 548644_ALDRICH, STOCK3S-54206, ZINC00404102, Dibenz [b,f]azepine-5-carbonyl chloride, 5-(Chlorocarbonyl)-5H-dibenz[b,f]azepine, 5H-Dibenz[b,f]azepine-5-carbonyl chloride

Molecular Formula: C15H10ClNOMolecular Weight: 255.699000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: APJYHXJGXDPGBA-UHFFFAOYSA-N

• Imipenam&Cilastadine Sodium
IUPAC Name: (Z)-7-[(2S)-2-amino-3-hydroxy-3-oxopropyl]sulfanyl-2-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoic acid; (5R,6S)-3-[2-(aminomethylideneamino)ethylsulfanyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid | CAS Registry Number: 85960-17-4
Synonyms: Primaxin, Thienam, Zienam, Imipenem-cilastatin, Tienam 500, MK 787-MK 791 mixture, MK 0787-MK 0791 mixture, 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-((1R)-1-hydroxyethyl)-3-((2-((iminomethyl)amino)ethyl)thio)-7-oxo-, (5R,6S)-, mixt. with (2Z)-7-(((2R)-2-amino-2-carboxyethyl)thio)-2-((((1S)-2,2-dimethylcyclopropyl)carbonyl)amino)-2-heptenoic acid, 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-3-((2-((iminomethyl)amino)ethyl)thio)-7-oxo-, (5R-(5alpha,6alpha(R*)))-, mixt. with (R-(R*,S*-(Z)))-7-((2-amino-2-carboxyethyl)thio)-2-(((2,2-dimethylcyclopropyl)carbonyl)amino)-2-heptanoic acid, 92309-29-0

Molecular Formula: C28H43N5O9S2Molecular Weight: 657.799120 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 12

InChIKey: NCCJWSXETVVUHK-YWQWCIIKSA-N

• Imipramine Hcl
IUPAC Name: 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine hydrochloride | CAS Registry Number: 113-52-0
Synonyms: Tofranil, Imipramine hydrochloride, Chimoreptin, Feinalmin, Imilanyle, Persamine, Pertofram, Presamine, Pryleugan, Tofranile, Janimine, Teperine, Imizine, Iprogen, Imizin, Psicopramine, Imipramini, Melipramine, Psychoforin, Thymopramin

Molecular Formula: C19H25ClN2Molecular Weight: 316.868200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: XZZXIYZZBJDEEP-UHFFFAOYSA-N

• Imperatorin
IUPAC Name: 9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one | CAS Registry Number: 482-44-0
Synonyms: Ammidin, IMPERATORIN, Marmelosin, Pentosalen, 8-Isoamylenoxypsoralen, 8-Isopentenyloxypsoralene, Spectrum_000755, SpecPlus_000755, Spectrum2_000376, Spectrum3_000145, Spectrum4_001422, Spectrum5_000244, CCRIS 4346, Oprea1_407817, BSPBio_001850, KBioGR_001864, KBioSS_001235, SPECTRUM102076, HSDB 3497, MLS000574838

Molecular Formula: C16H14O4Molecular Weight: 270.279960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: OLOOJGVNMBJLLR-UHFFFAOYSA-N

• Inabenfide
IUPAC Name: N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]pyridine-4-carboxamide | CAS Registry Number: 82211-24-3
Synonyms: Seritard, Inabenfide [ISO], CGR-811, CID92401, BRN 5351697, LS-130565, 4'-Chloro-2'-(alpha-hydroxybenzyl)isonicotinanilide, C10942, N-(4-Chloro-2-(hydroxyphenylmethyl)phenyl)-4-pyridinecarboxamide, 4-Pyridinecarboxamide, N-(4-chloro-2-(hydroxyphenylmethyl)phenyl)-

Molecular Formula: C19H15ClN2O2Molecular Weight: 338.787600 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: PFDCOZXELJAUTR-UHFFFAOYSA-N

• Indirubin
IUPAC Name: 2-(2-oxo-1H-indol-3-ylidene)-1H-indol-3-one | CAS Registry Number: 479-41-4
Synonyms: Indigopurpurin, Indigo Red, KBioGR_000450, KBioSS_000450, KBio2_000450, KBio2_003018, KBio2_005586, KBio3_000839, KBio3_000840, Bio2_000395, Bio2_000875, NSC105327, [.DELTA.2,3'-Biindoline]-2',3-dione, C.I. 73200, 2H-Indol-2-one, 3-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro-

Molecular Formula: C16H10N2O2Molecular Weight: 262.262800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: CRDNMYFJWFXOCH-UHFFFAOYSA-N

• Indole-2,4-dicarboxylic acid 2-ethyl ester 4-methyl ester
IUPAC Name: 2-O-ethyl 4-O-methyl 1H-indole-2,4-dicarboxylate | CAS Registry Number: 473883-20-4
Synonyms: 4-METHOXYCARBONYLINDOLE-2-CARBOXYLIC ACID ETHYL ESTER, 4-Methoxycarbonylindole-2-carboxylic acidethyl ester, PubChem1698, CTK8I8181, ZINC02384088, ethyl 4-methoxycarbonylindole-2-carboxylate, KB-193127, KB-201871, KB-202546, indole-2,4-dicarboxylic acid 2-ethyl 4-methyl ester

Molecular Formula: C13H13NO4Molecular Weight: 247.246620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: FQDHGBXAWBUTQW-UHFFFAOYSA-N

• Indole-2,5-dicarboxylic acid
IUPAC Name: 1H-indole-2,5-dicarboxylic acid | CAS Registry Number: 117140-77-9
Synonyms: 1H-indole-2,5-dicarboxylic Acid, 5-CARBOXYINDOLE-2-CARBOXYLIC ACID, 1H-Indole-2,5-dicarboxylicacid, PubChem1667, ACMC-1BS5J, AC1N7U8O, SureCN1842307, CTK0H4301, MolPort-000-875-430, SBB063805, AKOS002664593, AG-D-93931, RD-0143, KB-77894, N463, AB1005635, FT-0601332, A803720, I01-2955, Indole-2,5-dicarboxylic acid; 5-Carboxyindole-2-carboxylic acid

Molecular Formula: C10H7NO4Molecular Weight: 205.166880 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: MUABQYJAPOQWCH-UHFFFAOYSA-N

• Indole-3-carboxylic acid ethyl ester
IUPAC Name: ethyl 1H-indole-3-carboxylate | CAS Registry Number: 776-41-0
Synonyms: Ethyl indole-3-carboxylate, ethyl 1H-indole-3-carboxylate, NCIOpen2_000288, 681466_ALDRICH, ZINC00335842, NSC63796, CID247965, ST5409127, I-2430, AN-068/14539028

Molecular Formula: C11H11NO2Molecular Weight: 189.210540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: XOUHVMVYFOXTMN-UHFFFAOYSA-N

• Indole-4-carboxaldehyde
IUPAC Name: 1H-indole-4-carbaldehyde | CAS Registry Number: 1074-86-8
Synonyms: 4-Formylindole, 1H-Indole-4-carbaldehyde, 1H-Indole-4-carboxaldehyde, 632422_ALDRICH, NSC337264, ALBB-004801, ZERO/008830, CID333703, ZINC01576624, F2311G1, TL8000263, I-2202

Molecular Formula: C9H7NOMolecular Weight: 145.157980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: JFDDFGLNZWNJTK-UHFFFAOYSA-N

• Indole-6-carboxaldehyde
IUPAC Name: 1H-indole-6-carbaldehyde | CAS Registry Number: 1196-70-9
Synonyms: 6-Formylindole, 1H-indole-6-carbaldehyde, 632406_ALDRICH, ZINC02577867, BB_SC-4710, ALBB-004799, CID2773435, F2138G1, TL8000525, I-2204

Molecular Formula: C9H7NOMolecular Weight: 145.157980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: VSPBWOAEHQDXRD-UHFFFAOYSA-N

• Indole-7-carboxylic acid
IUPAC Name: 1H-indole-7-carboxylic acid | CAS Registry Number: 1670-83-3
Synonyms: 7-Indolecarboxylic acid, 1H-Indole-7-carboxylic acid, Oprea1_470510, Oprea1_510927, CID74281, EINECS 216-801-5, BAS 00733696, ST5169434, EU-0067136, H29042, I-2360

Molecular Formula: C9H7NO2Molecular Weight: 161.157380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: IPDOBVFESNNYEE-UHFFFAOYSA-N


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