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Shanghai FWD Chemcials Limited

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Profile: Shanghai FWD Chemcials Limited provide fine chemicals, API, Intermediates and natural extract for global customers and are sophisticated in chemicals customizing, distributing, and mass production over ten years. We own a diversified and wide-ranging product set. Some of the functions enhanced by our products include: Fluoro aromatic compounds, pyridines / pyrimidine s/ pyrazines, piperazines/piperidines/pyrrolidines and amino acids etc. We are a team of great scientists, strict quality controllers, cordial customer support specialists and experienced business professionals dedicated to the high quality, cost-efficiency, timely response and the maximization benefit of our customers. As a Chinese local company, we are familiar with international framework for trade with near 10 years experience in export and can promise the best service for customers abroad. We are developing an inventory of compounds to meet the prompt demand and appreciate suggestions from you and your staff about products that we might offer.

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• a-Ketoleucine Calcium Salt
IUPAC Name: 4-methyl-2-oxopentanoic acid | CAS Registry Number: 51828-95-6
Synonyms: 2-Oxoisocaproate, Ketoleucine, 2-ketoisocaproate, alpha-oxoisocaproate, alpha-ketoisocaproate, Isopropylpyruvic acid, 4-methyl-2-oxopentanoate, 4-Methyl-2-oxovaleric acid, 2-Oxoisocaproic acid, 4-methyl-2-oxopentanoic acid, alpha-Ketoisocaproic acid, 2-oxo-4-methylpentanoate, 2-keto-4-methyl-pentanoate, 2K-4CH3-PENTANOATE, 2-KETOISOCAPROIC ACID, 2-OXO-4-METHYLPENTANOIC ACID, Calcium 4-methyl-2-oxovalerate, 68255_FLUKA, CHEBI:48430, Pentanoic acid, 4-methyl-2-oxo-

Molecular Formula: C6H10O3Molecular Weight: 130.141800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BKAJNAXTPSGJCU-UHFFFAOYSA-N

• A-Methyl-L-P-Tyrosine
IUPAC Name: (2S)-2-amino-3-(4-hydroxyphenyl)-2-methylpropanoic acid | CAS Registry Number: 672-87-7
Synonyms: Methyltyrosine, Metirosine, Demser, METYROSINE, alpha-Methyl-L-tyrosine, Metirosine (INN), Metyrosine (USP), Demser (TN), a-methyl-L-p-tyrosine, L-AMPT, Spectrum3_001846, L-alpha-Methyl-p-tyrosine, Lopac0_000811, BSPBio_003232, M8131_SIGMA, SPECTRUM2300312, KBio3_002732, DB00765, NCGC00094144-01, NCGC00094144-03

Molecular Formula: C10H13NO3Molecular Weight: 195.215120 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: NHTGHBARYWONDQ-JTQLQIEISA-N

• ABACAVIR SULFATE, NON-LABELED, 98%
IUPAC Name: [(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol | CAS Registry Number: 136470-78-5
Synonyms: abacavir, Ziagen, CHEBI:421707, UNII-WR2TIP26VS, Epzicom, 1592U89, Abacavir (INN), ABC, (+/-)-Abacavir, {(1S-cis)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol, Abacavir [INN:BAN], AC1L9AXG, CHEMBL1380, Bio-0001, Ziagen (TM)(*Succinate salt*), NSC742406, ZINC02015928, DB01048, NCGC00164560-01, NCGC00164560-02

Molecular Formula: C14H18N6OMolecular Weight: 286.332320 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: MCGSCOLBFJQGHM-SCZZXKLOSA-N

• ABTS
IUPAC Name: (2E)-3-ethyl-2-[(Z)-(3-ethyl-6-sulfo-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonic acid | CAS Registry Number: 30931-67-0
Synonyms: 2,2'-Azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid, 2,2'-Azinodi-(3-ethylbenzothiazoline)-(6)-sulfonic acid, ammonium salt, 6-Benzothiazolesulfonic acid, 2,2'-azinobis(3-ethyl-2,3-dihydro-, diammonium salt, 28752-68-3

Molecular Formula: C18H18N4O6S4Molecular Weight: 514.618720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 10

InChIKey: ZTOJFFHGPLIVKC-YAFCTCPESA-N

• Abz-gly-4-nitro-phe-pro-oh
IUPAC Name: (2S)-1-[(2S)-2-[[2-[(2-aminobenzoyl)amino]acetyl]amino]-3-(4-nitrophenyl)propanoyl]pyrrolidine-2-carboxylic acid | CAS Registry Number: 67482-93-3
Synonyms: EINECS 266-699-1, 2-Aminobenzoylglycyl-4-nitrophenylalanyl-proline, 1-(N-(N-(2-Aminobenzoyl)glycyl)-4-nitro-L-phenylalanyl)-L-proline, L-Proline, 1-(N-(N-(2-aminobenzoyl)glycyl)-4-nitro-L-phenylalanyl)-, (3R-(3alpha,4abeta,5beta,6beta,6aalpha,10alpha,10abeta,10balpha))-

Molecular Formula: C23H25N5O7Molecular Weight: 483.473900 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: ZCZHTWBKBLMIQM-OALUTQOASA-N

• Ac-D-Phe-OH
IUPAC Name: (2R)-2-acetamido-3-phenylpropanoic acid | CAS Registry Number: 10172-89-1
Synonyms: N-Acetyl-D-phenylalanine, N-Acetyl-3-phenyl-D-alanine, A3876_SIGMA, ACETYL-DL-PHENYLALANINE, CHEBI:28203, EINECS 233-447-7, BTB 13557, C05620, 7782-51-6

Molecular Formula: C11H13NO3Molecular Weight: 207.225820 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: CBQJSKKFNMDLON-SNVBAGLBSA-N

• acarbose
IUPAC Name: (2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-[[(1S,4S,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol | CAS Registry Number: 56180-94-0
Synonyms: Precose, Precose (TN), Acarbose (JAN/USAN/INN), CHEBI:2376, CID441184, DB00284, C06802, D00216, (2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-[[(1S,4S,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-1-cyclohex-2-enyl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol, 4,6-dideoxy-4-{[(1S,4S,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-D-glucose

Molecular Formula: C25H43NO18Molecular Weight: 645.604820 [g/mol]
H-Bond Donor: 14H-Bond Acceptor: 19

InChIKey: XUFXOAAUWZOOIT-JMPDRRIHSA-N

• Aceclofenac Bp98
IUPAC Name: 2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyacetic acid | CAS Registry Number: 89796-99-6
Synonyms: Aceclofenac, Aceclofenac (TN), Aceclofenacum [Latin], Prestwick_772, Aceclofenaco [Spanish], Aceclofenac [BAN:INN], Aceclofenac (JAN/INN), Prestwick0_000175, Prestwick1_000175, Prestwick2_000175, Prestwick3_000175, BSPBio_000069, C16H13Cl2NO4, MLS001032069, MLS001304028, MLS002154226, SPBio_001990, BPBio1_000077, BB_SC-2095, CID71771

Molecular Formula: C16H13Cl2NO4Molecular Weight: 354.184720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: MNIPYSSQXLZQLJ-UHFFFAOYSA-N

• Acerola
IUPAC Name: [(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol | CAS Registry Number: 4097-22-7
Synonyms: dideoxyadenosine, ddAdo, 2',3'-Dideoxyadenosine, ddA (Antiviral), ddA & GM-CSF, CCRIS 428, MLS001055366, D1285_SIGMA, NSC-98700, ADENOSINE, 2',3'-DIDEOXY-, EINECS 223-853-2, NSC 98700, AIDS000003, AIDS000887, C10H13N5O2, AIDS-000003, AIDS-000887, DRG-0039, NSC98700, BRN 0619924

Molecular Formula: C10H13N5O2Molecular Weight: 235.242520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: WVXRAFOPTSTNLL-NKWVEPMBSA-N

• Acetoacet P-Anisidine
IUPAC Name: N-(4-methoxyphenyl)-3-oxobutanamide | CAS Registry Number: 5437-98-9
Synonyms: p-Acetoacetanisidine, p-ACETOACETANISIDIDE, para-Acetoacetanisidide, Acetoacet-p-anisidide, 4'-Methoxyacetoacetanilide, Maybridge1_001183, Acetoacetanilide, 4'-methoxy-, N-(4-Methoxyphenyl)acetoacetamide, Butanamide, N-(4-methoxyphenyl)-3-oxo-, N-(4-Methoxyphenyl)-3-oxobutanamide, EINECS 226-615-6, NSC 16508, Butanamide, N-(4-methoxyphenyl)-oxo-, NSC 116392, NSC 216130, NSC16508, BRN 2213866, NSC116392, NSC216130, ZINC00056480

Molecular Formula: C11H13NO3Molecular Weight: 207.225820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: SWAJJKROCOJICG-UHFFFAOYSA-N

• Acetoacet-2,5-Dimethoxyanilide
IUPAC Name: N-(2,5-dimethoxyphenyl)-3-oxobutanamide | CAS Registry Number: 6375-27-5
Synonyms: Acetoacet-2,5-dimethoxyanilide, 2',5'-Dimethoxyacetoacetanilide, Acetoacetyl-2,5-dimethoxyanilide, NSC50634, EINECS 228-936-7, Acetoacetanilide, 2',5'-dimethoxy-, NSC 50634, ZINC00282551, BAS 00441193, Butanamide, N-(2,5-dimethoxyphenyl)-3-oxo-, N-(2,5-dimethoxyphenyl)-3-oxobutanamide, ST5447066, Acetoacetanilide, 2',5'-dimethoxy- (8CI), N-(2,5-Dimethoxy-phenyl)-3-oxo-butyramide

Molecular Formula: C12H15NO4Molecular Weight: 237.251800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: PJFIAKRRJLGWMD-UHFFFAOYSA-N

• Acetophenide
Synonyms: Deladroxone, Alphasone acetophenide, ALGESTONE ACETOPHENIDE, CHEBI:49327, CID5284538, 16alpha,17-[(1R)-1-phenylethane-1,1-diyldioxy]pregn-4-ene-3,20-dione, (4aR,4bS,6aS,6bS,8R,9aR,10aS,10bR)-6b-acetyl-4a,6a,8-trimethyl-8-phenyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one

Molecular Formula: C29H36O4Molecular Weight: 448.593740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: AHBKIEXBQNRDNL-FVCOMRFXSA-N

• Acetorphan
IUPAC Name: benzyl 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetate | CAS Registry Number: 81110-73-8
Synonyms: Racecadotril, Retorphan, Sinorphan, ECADOTRIL, Prestwick_926, Racecadotril [INN], Prestwick0_000626, Prestwick1_000626, Prestwick2_000626, Prestwick3_000626, UNII-76K53XP4TO, BSPBio_000592, MLS000758279, MLS001423958, SPBio_002811, BPBio1_000652, C21H23NO4S, CID107751, NCGC00179511-01, CPD000449320

Molecular Formula: C21H23NO4SMolecular Weight: 385.476620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ODUOJXZPIYUATO-UHFFFAOYSA-N

• Acipimox
IUPAC Name: 5-methyl-4-oxidopyrazin-4-ium-2-carboxylic acid | CAS Registry Number: 51037-30-0
Synonyms: Olbetam, ACIPIMOX, Olbemox, Acipimox (INN/BAN), Acipimox [BAN:INN], Acipimoxum [INN-Latin], C6H6N2O3, BB_SC-2776, EINECS 256-928-3, 5-Methyl-2-pyrazincarbonsaeure-4-oxid, 5-Methylpyrazinecarboxylic acid 4-oxide, BRN 0777471, NCGC00160519-01, NCGC00160519-02, 5-Methyl-2-pyrazinecarboxylic acid 4-oxide, 5-methylpyrazine-2-carboxylic acid 4-oxide, LS-127587, 2-Pyrazinecarboxylic acid, 5-methyl-, 4-oxide, D07190, K 9321

Molecular Formula: C6H6N2O3Molecular Weight: 154.123440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: DJQOOSBJCLSSEY-UHFFFAOYSA-N

• Acitretin
IUPAC Name: (2E,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid | CAS Registry Number: 55079-83-9
Synonyms: Soriatane, Etretin, Acitretine, Neotigason, Retinoid etretin, Acitretina, Acitretinum, Isoacitretin, Isoetretin, Tigason, all-trans-Acitretin, Acitretine [French], Acitretinum [Latin], TMMP, Soriatane (TN), Acitretina [Spanish], 13-cis-Acitretin, Acitretin (USAN/INN), Spectrum5_002065, CCRIS 5534

Molecular Formula: C21H26O3Molecular Weight: 326.429340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: IHUNBGSDBOWDMA-AQFIFDHZSA-N

• Aconitine
Synonyms: aconitine, CHEBI:2430, NSC56464, STOCK1N-54397, CID245005, NCI60_004380, C06091, 16-Ethyl-1alpha,6alpha,19beta-trimethoxy-4-(methoxymethyl)-aconitane-3alpha,8,10alpha,11,18alpha-pentol, 8-acetate 10-benzoate, 20-ethyl-3alpha,13,15alpha-trihydroxy-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)aconitane-8,14alpha-diyl 8-acetate 14-benzoate

Molecular Formula: C34H47NO11Molecular Weight: 645.737080 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 12

InChIKey: XFSBVAOIAHNAPC-XTHSEXKGSA-N

• Adamantane-1-carboxamidine hydrochloride
IUPAC Name: adamantane-1-carboximidamide;hydrochloride | CAS Registry Number: 50417-14-6
Synonyms: Adamantane-1-carboximidamide Hydrochloride, AC1MBJC8, Ambpe2006409, SureCN1238887, adamantane-1-carboxamidine hcl, CHEMBL2041312, CTK7D1849, MolPort-000-000-431, CCG-1922, 1-adamantanecarbamidine hydrochloride, SBB095039, AKOS015844151, AG-A-94517, 1-adamantanecarboximidamide hydrochloride, 1-Adamantyl(Amino)Methaniminium Chloride, FT-0639900, C-5710, A828111, I14-27859

Molecular Formula: C11H19ClN2Molecular Weight: 214.734960 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 1

InChIKey: OJNFQKIOKKMCIM-UHFFFAOYSA-N

• Adapalene
IUPAC Name: 6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalene-2-carboxylic acid | CAS Registry Number: 106685-40-9
Synonyms: ADAPALENE, Differin, Differin (TN), Adapalenum [INN-Latin], Adapaleno [INN-Spanish], Ambap2675, Adapalene [USAN:BAN:INN], Adapalene (JAN/USAN/INN), MLS000759463, CHEBI:31174, CD 271, CD271, C28H28O3, CD-271, DB00210, NCGC00164617-01, CPD000466349, SAM001246663, SMR000466349, LS-172017

Molecular Formula: C28H28O3Molecular Weight: 412.520120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: LZCDAPDGXCYOEH-UHFFFAOYSA-N

• Adefovir
IUPAC Name: 2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid | CAS Registry Number: 106941-25-7
Synonyms: ADEFOVIR, PMEA, Adefovir [USAN:INN], 9-PMEA, Adefovir (USAN/INN), 9-(2-Phosphonylmethoxyethyl)adenine, GS 393, C8H12N5O4P, 9-(2-phosphonomethoxyethyl)adenine, DRG-0156, N-(2-Phosphonylmethoxyethyl)adenine, GS 0393, 9-(2-(Phosphonomethoxy)ethyl)adenine, AIDS000048, AIDS-000048, CID60172, GS-0393, 9-(2-Phosphorylmethoxyethyl)adenine, 9-[2-Phosphonylmethoxyethyl]adenine, BRN 3561094

Molecular Formula: C8H12N5O4PMolecular Weight: 273.185741 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 9

InChIKey: SUPKOOSCJHTBAH-UHFFFAOYSA-N

• Adefovir Dipivoxil
IUPAC Name: [2-(6-aminopurin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate | CAS Registry Number: 142340-99-6
Synonyms: Hepsera, Preveon, Adefovir pivoxil, ADEFOVIR DIPIVOXIL, Adefovirdipivoxl, YouHeDing, adefovir depivoxil, Bis(pom)PMEA, Hepsera (TN), Piv2PMEA, ADEFOVIR, bis-POM PMEA, PMEA, Bis(POM)-PMEA, Ambap2538, Adefovir pivoxil (JAN), Adefovir dipivoxil (USAN), C20H32N5O8P, GS 840, GS-840

Molecular Formula: C20H32N5O8PMolecular Weight: 501.470541 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 13

InChIKey: WOZSCQDILHKSGG-UHFFFAOYSA-N

• Adenosine 5'-monophosphate disodium salt
IUPAC Name: disodium [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate | CAS Registry Number: 4578-31-8
Synonyms: Disodium AMP, AMP disodium salt, Disodium 5'-AMP, 5'-adenylic acid, nchem.100-comp5, 5'-AMP disodium salt, Adenylic acid disodium salt, 5'-adenosine monophosphate, 5'-AMP-Na2, A1752_SIGMA, 01930_FLUKA, EINECS 224-961-2, Disodium adenosine 5'-phosphate hydrate, 5'-ADENYLIC ACID, DISODIUM SALT, A-5'-P, Adenosine 5'-monophosphate sodium salt, LS-15197, ST5409940, TL8003181, AMP

Molecular Formula: C10H12N5Na2O7PMolecular Weight: 391.184881 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 12

InChIKey: QGXLVXZRPRRCRP-IDIVVRGQSA-L

• Adenosine 5'-monophosphoric acid sodium salt
IUPAC Name: disodium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate | CAS Registry Number: 149022-20-8
Synonyms: 4578-31-8, Disodium AMP, AMP disodium salt, Disodium 5'-AMP, 5'-AMP disodium salt, Adenylic acid disodium salt, EINECS 224-961-2, Disodium adenosine 5'-phosphate hydrate, 5'-ADENYLIC ACID, DISODIUM SALT, Adenosine 5'-monophosphate disodium salt, Adenosine 5'-monophosphate sodium salt, Sodium ((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphate, Adenosine 5'-monophosphoric acid disodium salt, A-5 inverted exclamation marka-P, AC1L2GUF, UNII-T1WZ11DSRN, SureCN353218, 5'-AMP-Na2, KSC914K5H, A1752_SIGMA

Molecular Formula: C10H12N5Na2O7PMolecular Weight: 391.184881 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 11

InChIKey: QGXLVXZRPRRCRP-IDIVVRGQSA-L

• Adenosine triphosphate disodium salt
IUPAC Name: disodium;[[[(2R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-oxidophosphoryl] hydrogen phosphate | CAS Registry Number: 51963-61-2
Synonyms: ACT02233

Molecular Formula: C10H14N5Na2O13P3Molecular Weight: 551.144685 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 17

InChIKey: TTWYZDPBDWHJOR-BKEJLULTSA-L

• Adenosine-5'Triphosphate
IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate | CAS Registry Number: 56-65-5
Synonyms: Adenosine triphosphate, Triphosphaden, Triphosaden, Myotriphos, Striadyne, Triadenyl, Glucobasin, Atriphos, Adephos, Adetol, Adynol, Atipi, adenylpyrophosphate, ATP (nucleotide), adenosine-5'-triphosphate, Adenylpyrophosphoric acid, Adenosine 5'-triphosphate, 1kxp, 1mau, 1maw

Molecular Formula: C10H16N5O13P3Molecular Weight: 507.181023 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 18

InChIKey: ZKHQWZAMYRWXGA-KQYNXXCUSA-N

• Adenosine-5-Diphosphate
IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate | CAS Registry Number: 58-64-0
Synonyms: Adenosine diphosphate, ADP (nucleotide), Adenosine 5'-diphosphate, adenosine pyrophosphate, adenosine-5'-diphosphate, 1amw, 1lkx, 1ucn, 1xxi, 1yrs, 2bfr, H3adp, 5'-Adp, adenosine 5'-pyrophosphate, Formycin diphosphate, Adenosindiphosphorsaeure, 5'-Adenylphosphoric acid, adenosine-diphosphate, Adenosine-5'-diphosphat, a-ADP

Molecular Formula: C10H15N5O10P2Molecular Weight: 427.201122 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 15

InChIKey: XTWYTFMLZFPYCI-KQYNXXCUSA-N

• Adrenosterone
IUPAC Name: (8S,9S,10R,13S,14S)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11,17-trione | CAS Registry Number: 382-45-6
Synonyms: ADRENOSTERONE, Reichstein's substance G, 11-Ketoandrostenedione, Prestwick0_000899, Prestwick1_000899, Prestwick2_000899, Prestwick3_000899, 11-Oxy-4-androstenedione, Androst-4-ene-3,11,17-trione, BSPBio_000718, MLS000028712, MLS001146874, SPBio_002927, 284998_ALDRICH, BPBio1_000790, 4-Androstene-3,11,17-trione, NSC12166, CID223997, NCGC00179466-01, SMR000059216

Molecular Formula: C19H24O3Molecular Weight: 300.392060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: RZRPTBIGEANTGU-IRIMSJTPSA-N

• Alacepril
IUPAC Name: (2S)-2-[[(2S)-1-[(2S)-3-acetylsulfanyl-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid | CAS Registry Number: 74258-86-9
Synonyms: alacepril, Cetapril, aracepril, Alaceprilum [Latin], Cetapril (TN), Alacepril [INN:JAN], Ambap5418, Alacepril (JP15/INN), C20H26N2O5S, NSC 338157, CID71992, DU 1219, DU-1219, BRN 3634372, LS-105750, D01900, 1-(D-3-Acetylthio-2-methylpropanoyl)-L-prolyl-L-phenylalanine, N-(2-((S)-3-Acetylthio-2-methylpropionyl)propyl)-3-phenylalanin, L-Phenylalanine, N-(1-(3-(acetylthio)-2-methyl-1-oxopropyl)-L-prolyl)-, (S)-, N-(1-((S)-3-Mercapto-2-methylpropionyl)-L-prolyl)-3-phenyl-L-alanine acetate (ester)

Molecular Formula: C20H26N2O5SMolecular Weight: 406.495840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: FHHHOYXPRDYHEZ-COXVUDFISA-N

• Alantolactone
IUPAC Name: (3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one | CAS Registry Number: 546-43-0
Synonyms: helenine, Eupatal, Alant camphor, Inula camphor, helenin, Elecampane camphor, Spectrum_000297, Spectrum2_000297, Spectrum3_001358, Spectrum4_001772, Spectrum5_000383, BSPBio_003175, KBioGR_002284, KBioSS_000777, SPECTRUM310010, NSC93131, SPBio_000234, CHEBI:2540, STOCK1N-11111, EINECS 208-899-3

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

InChIKey: PXOYOCNNSUAQNS-AGNJHWRGSA-N

• Alendronate Sodium Amorphous
IUPAC Name: sodium (4-amino-1-hydroxy-1-phosphonobutyl)-hydroxyphosphinate | CAS Registry Number: 129318-43-0
Synonyms: Fosamax, Fosamac, Onclast, Alendros, Osteovan, Almerol, Bonalon, Indrol, Teiroc, Alend, NeoBon, AHButBP, Monosodium alendronate, AHBuBP, ALENDRONATE SODIUM, Alendronate, Sodium Salt, Alendronic acid sodium salt, GTH-42W, GTH-42, Alendronate, Sodium, Trihydrate

Molecular Formula: C4H12NNaO7P2Molecular Weight: 271.077872 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 8

InChIKey: CAKRAHQRJGUPIG-UHFFFAOYSA-M

• Alfacalcidol
IUPAC Name: (1R,3S,5E)-5-[(2Z)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol | CAS Registry Number: 41294-56-8
Synonyms: alfacalcidol, 1alpha-Hydroxypregnacalciferol, LMST03020661, CID5284515, (1S,3R,5E,7Z)-9,10-secocholesta-5,7,10-triene-1,3-diol, (5E,7Z)-(1S,3R)-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol

Molecular Formula: C27H44O2Molecular Weight: 400.637060 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: OFHCOWSQAMBJIW-GITLSTMWSA-N

• Alfuzosin HCL
IUPAC Name: N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide hydrochloride | CAS Registry Number: 81403-68-1
Synonyms: Uroxatral, Alfoten, Xatral, Urion, alfuzosin, Alfetim, Alfuzosin Hydrochloride, Xatral Retard, Xatral OD, Xatral SR, Xatral XL, Uroxatral (TN), Alfuzosin hydrochloride [USAN], C19H27N5O4, Alfuzosin hydrochloride (JAN/USAN), LS-70107, SL 77499-10, SL-77499, SL 77 499-10, SL-7749910

Molecular Formula: C19H28ClN5O4Molecular Weight: 425.909720 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: YTNKWDJILNVLGX-UHFFFAOYSA-N

• Alibendol
IUPAC Name: 2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-5-prop-2-enylbenzamide | CAS Registry Number: 26750-81-2
Synonyms: Alibendolum [INN-Latin], Ambap5414, Alibendol [DCF:INN], Alibendol [INN:DCF], FC 54, C13H17NO4, EINECS 247-960-9, CID71916, BRN 2735959, NCGC00164629-01, LS-25268, TL8002126, 5-Allyl-N-(2-hydroxyethyl)-3-methoxysalicylamide, Benzamide, 5-allyl-2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-, m-Anisamide, 5-allyl-2-hydroxy-N-(2-hydroxyethyl)-, Hydroxy-2 methoxy-3 allyl-5 N-(beta-hydroxy ethyl)benzamide [French], m-Anisamide, 5-allyl-2-hydroxy-N-(2-hydroxyethyl)- (8CI), Benzamide, 2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-5-(2-propenyl)-, Benzamide, 2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-5-(2-propenyl)- (9CI)

Molecular Formula: C13H17NO4Molecular Weight: 251.278380 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: UMJHTFHIQDEGKB-UHFFFAOYSA-N

• Allyl Alcohol
IUPAC Name: prop-2-en-1-ol | CAS Registry Number: 107-18-6
Synonyms: ALLYL ALCOHOL, 2-Propen-1-ol, Vinylcarbinol, Allylic alcohol, 3-Hydroxypropene, Vinyl carbinol, Weed drench, 2-Propenol, Propenyl alcohol, Propenol, 2-Propenyl alcohol, Orvinylcarbinol, Allylalkohol, Aaalcool allilco, Alcool allylique, Allilowy alkohol, Allyl al, Shell unkrautted A, 1-Propen-3-ol, Propen-1-ol-3

Molecular Formula: C3H6OMolecular Weight: 58.079140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: XXROGKLTLUQVRX-UHFFFAOYSA-N

• Allylestrenol
IUPAC Name: (8R,9S,10R,13S,14S,17R)-13-methyl-17-prop-2-enyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol | CAS Registry Number: 432-60-0
Synonyms: allylestrenol, Gestanin, Gestanol, Gestanon, Gestanyn, Orageston, Organon, Turinal, Allyloestrenol, Gestormone, Perselin, Allyloestrenolum, Estrenol, allyl-, Gestanon-r, Perselin (TN), 17alpha-Allylestrenol, Allilestrenolo [DCIT], 17.alpha.-Allylestrenol, Allylestrenol (JAN/INN), Allylestrenol [INN:JAN]

Molecular Formula: C21H32OMolecular Weight: 300.478180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: ATXHVCQZZJYMCF-XUDSTZEESA-N

• Aloe-emodine
IUPAC Name: 1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione | CAS Registry Number: 481-72-1
Synonyms: Aloe-emodin, Aloe emodin, Rhabarberone, emodin, Aloeemodin, aloe emodine, EMODINE, 3-Hydroxymethylchrysazin, Ambap3320, 3-Hydroxymethylchrysazine, CCRIS 3526, MLS000697563, A7687_SIGMA, NSC 38628, NSC38628, EINECS 207-571-7, AIDS048396, 1,8-Dihydroxy-3-hydroxymethylanthraquinone, AIDS-048396, C15H10O5

Molecular Formula: C15H10O5Molecular Weight: 270.236900 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: YDQWDHRMZQUTBA-UHFFFAOYSA-N

• alpha,alpha-Dimethylbenzyl chloride
IUPAC Name: 2-chloropropan-2-ylbenzene | CAS Registry Number: 934-53-2
Synonyms: (1-Chloro-1-methylethyl)benzene, Benzene, (1-chloro-1-methylethyl)-, EINECS 213-284-8

Molecular Formula: C9H11ClMolecular Weight: 154.636640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: KPJKMUJJFXZGAX-UHFFFAOYSA-N

• alpha-Allyl-L-Ala
IUPAC Name: (2S)-2-amino-2-methylpent-4-enoic acid | CAS Registry Number: 16820-25-0
Synonyms: 96886-55-4, (S)-2-Amino-2-methylpent-4-enoic acid, (S)-2-Amino-2-Methyl-4-Pentenoic Acid, (R)-2-Amino-2-Methyl-4-Pentenoic Acid, L-ALPHA-ALLYLALANINE, ALPHA-ALLYL-L-ALA, ALPHA-METHYL-L-ALLYLGLYCINE, (S)-(-)-ALPHA-ALLYLALANINE, MFCD00145248, 4-PENTENOIC ACID, 2-AMINO-2-METHYL-, (2S)-, AK103664, (2S)-2-amino-2-methylpent-4-enoic acid, (S)-(-)-2-AMINO-2-METHYL-4-PENTENOIC ACID, H-ALPHA-ALL-D-ALA-OH, 2-Allyl-D-alanine, AmbotzHAA5250, L-A-ALLYLALANINE, A-ALLYL-L-ALA, H-A-ALL-ALA-OH, (S)-A-ALLYLALANINE

Molecular Formula: C6H11NO2Molecular Weight: 129.159 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: QMBTZYHBJFPEJB-LURJTMIESA-N

• alpha-Benzyl-D-Ala
IUPAC Name: (2R)-2-amino-2-methyl-3-phenylpropanoic acid | CAS Registry Number: 17350-84-4
Synonyms: ALPHA-METHYL-D-PHENYLALANINE, (R)-2-Amino-2-methyl-3-phenylpropanoic acid, (2R)-2-amino-2-methyl-3-phenylpropanoic acid, (S)-2-Amino-2- Methyl-3-Phenylpropanoic Acid, alpha-methyl-D-Phe, AmbotzHAA1001, (R)-2-amimo-2-methyl-3-phenylpropanoic acid, AC1ODZQS, a-methyl-d-phenylalanine, A-BENZYL-D-ALA, ALPHA-BENZYL-D-ALA, ALPHA-ME-D-PHE-OH, H-A-ME-D-PHE-OH, SureCN202327, H-D-(ME)PHE-OH, H-ALPHA-ME-D-PHE-OH, D-A-METHYLPHENYLALANINE, CTK7I3010, (R)-A-METHYLPHENYLALANINE, (R)-2-METHYLPHENYLALANINE

Molecular Formula: C10H13NO2Molecular Weight: 179.215720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: HYOWVAAEQCNGLE-SNVBAGLBSA-N

• alpha-Benzyl-L-Ala
IUPAC Name: (2S)-2-amino-2-methyl-3-phenylpropanoic acid | CAS Registry Number: 23239-35-2
Synonyms: alpha-methyl-L-phenylalanine, (S)-alpha-Methylphenylalanine, ALPHA-METHYLPHENALANINE, L-, Phenylalanine, alpha-methyl-, (S)-, SBB006742, AL580-1

Molecular Formula: C10H13NO2Molecular Weight: 179.215720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: HYOWVAAEQCNGLE-JTQLQIEISA-N

• Alpha-bromo-(2-chloro)-phenylacetic acid
IUPAC Name: 2-bromo-2-(2-chlorophenyl)acetic acid | CAS Registry Number: 141109-25-3
Synonyms: alpha-Bromo-2-chlorophenylacetic acid, 2-bromo-2-(2-chlorophenyl)acetic Acid, 29270-30-2, a-Bromo 2-chlorophenylacetic acid, SBB063226, alpha-Bromo-2-chlorophenyl acetic acid, 2-Bromo-2-(2'-chlorophenyl) acetic acid, 2-Bromo-2-(2 -chlorophenyl) acetic acid, AC1MCNTY, PubChem22144, PubChem23671, AGN-PC-00CKSH, ACMC-209h7y, KSC495M9N, Jsp002436, bromo(2-chlorophenyl)acetic acid, CTK3J5696, a-bromo-2-chlorophenylacetic acid, MolPort-001-759-826, (2-Chlorophenyl)bromoacetic acid;

Molecular Formula: C8H6BrClO2Molecular Weight: 249.489040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: XHAPROULWZYBGA-UHFFFAOYSA-N

• Alpha-Bromo-4-Benzyloxypropiophenone
IUPAC Name: 2-bromo-1-[4-(phenylmethoxy)phenyl]propan-1-one | CAS Registry Number: 35081-45-9
Synonyms: 4'-Benzyloxy-2-bromopropiophenone, EINECS 252-351-6, NSC321048, TL8002614, 1-Propanone, 2-bromo-1-[4-(phenylmethoxy)phenyl]-

Molecular Formula: C16H15BrO2Molecular Weight: 319.193100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LSQLSCUJBXFBRB-UHFFFAOYSA-N

• alpha-Chloro-2-nitroacetanilide
IUPAC Name: 2-chloro-N-(2-nitrophenyl)acetamide | CAS Registry Number: 10147-70-3
Synonyms: NSC8365, ALBB-002277, 2-chloro-N-(2-nitrophenyl)acetamide, ZINC04064729, ST5334334

Molecular Formula: C8H7ClN2O3Molecular Weight: 214.605780 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: XXWVCPLQFJVURO-UHFFFAOYSA-N

• alpha-Chloro-4-(tert-pentyl)toluene
IUPAC Name: 1-(chloromethyl)-4-(2-methylbutan-2-yl)benzene | CAS Registry Number: 28162-11-0
Synonyms: P-t-amyl chlorobenzyl, TL8002240, Toluene, alpha-chloro-p-(1,1-dimethyl-propyl)-, Toluene, .alpha.-chloro-p-(1,1-dimethyl-propyl)-,

Molecular Formula: C12H17ClMolecular Weight: 196.716380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: GZSVKIJGGVPFGX-UHFFFAOYSA-N

• alpha-Cyclohexylmandelic acid
IUPAC Name: 2-cyclohexyl-2-hydroxy-2-phenylacetic acid | CAS Registry Number: 4335-77-7
Synonyms: Lespedamine, Hexahydrobenzilic acid, ChemDiv2_000672, Phenyl-cyclohexylglycolic acid, RCC 32, Oprea1_543150, MLS001211653, (+-)-Cyclohexylphenylglycolic acid, alpha-Phenylcyclohexaneglycolic acid, EINECS 224-380-4, Cyclohexyl-hydroxy-phenyl-acetic acid, KL-007-M1, NSC 28945, NSC 93969, Cyclohexaneglycolic acid, alpha-phenyl-, NSC28945, NSC93969, SBB008619, FR-2333, Acide phenylcyclohexylhydroxyacetique [French]

Molecular Formula: C14H18O3Molecular Weight: 234.290920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: YTRNSQPXEDGWMR-UHFFFAOYSA-N

• alpha-Ketoisocaproic acid
IUPAC Name: 4-methyl-2-oxopentanoic acid | CAS Registry Number: 816-66-0
Synonyms: 2-Oxoisocaproate, Ketoleucine, 2-ketoisocaproate, alpha-oxoisocaproate, alpha-ketoisocaproate, Isopropylpyruvic acid, 4-methyl-2-oxopentanoate, 4-Methyl-2-oxovaleric acid, 2-Oxoisocaproic acid, 4-methyl-2-oxopentanoic acid, 2-oxo-4-methylpentanoate, 2-keto-4-methyl-pentanoate, 2K-4CH3-PENTANOATE, 2-KETOISOCAPROIC ACID, 2-OXO-4-METHYLPENTANOIC ACID, Calcium 4-methyl-2-oxovalerate, 68255_FLUKA, CHEBI:48430, Pentanoic acid, 4-methyl-2-oxo-, EINECS 212-435-5

Molecular Formula: C6H10O3Molecular Weight: 130.141800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BKAJNAXTPSGJCU-UHFFFAOYSA-N

• Alpha-Phenyl-Alpha-(2-Pyridyl)-Aceto Nitrile
IUPAC Name: 2-phenyl-2-pyridin-2-ylacetonitrile | CAS Registry Number: 5005-36-7
Synonyms: alpha-Phenylpyridine-2-acetonitrile, NSC16276, EINECS 225-677-1, 2-Pyridineacetonitrile, .alpha.-phenyl-, A4073/0173554

Molecular Formula: C13H10N2Molecular Weight: 194.231900 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: CAXNYFPECZCGFK-UHFFFAOYSA-N

• Alprazolam
IUPAC Name: 8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine | CAS Registry Number: 28981-97-7
Synonyms: alprazolam, Xanax, Trankimazin, Cassadan, Esparon, Ralozam, Alprox, Tafil, Novo-Alprazol, Alprazolamum, Alprazolan, Tranquinal, Alpronax, Apo-Alpraz, Intensol, Prazolan, Tensivan, Tricalma, Alcelam, Alzolam

Molecular Formula: C17H13ClN4Molecular Weight: 308.764920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: VREFGVBLTWBCJP-UHFFFAOYSA-N

• Amentoflavone
IUPAC Name: 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one | CAS Registry Number: 1617-53-4
Synonyms: Didemethyl-ginkgetin, Ambap3272, 3',8''-Biapigenin, MLS000574827, MEGxp0_000924, 40584_FLUKA, AIDS000485, AIDS-000485, NSC295677, CID5281600, NSC 295677, SMR000156235, C10018, 4H-1-Benzopyran-4-one, 8-(5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-, 4H-1-Benzopyran-4-one, 8-[5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl), 79596-89-7

Molecular Formula: C30H18O10Molecular Weight: 538.457920 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 10

InChIKey: YUSWMAULDXZHPY-UHFFFAOYSA-N

• Amfebutamone
IUPAC Name: 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one | CAS Registry Number: 34911-55-2
Synonyms: bupropion, Amfebutamon, Wellbatrin, Bupropion Hcl, (+-)-Bupropion, Bupropion (INN), AMFEBUTAMONE HCl, Bupropion (USAN), Bupropion (Old RN), Bupropion hydrochloride, Spectrum_001663, Bupropion [INN:BAN], SpecPlus_000954, Amfebutamonum [INN-Latin], Amfebutamona [INN-Spanish], Prestwick0_000249, Prestwick1_000249, Prestwick2_000249, Prestwick3_000249, Spectrum2_001659

Molecular Formula: C13H18ClNOMolecular Weight: 239.741120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: SNPPWIUOZRMYNY-UHFFFAOYSA-N

• Amikacin Base
IUPAC Name: (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide | CAS Registry Number: 37517-28-5
Synonyms: amikacin, Amicacin, Amikavet, Kaminax, Lukadin, Mikavir, Pierami, Amiglyde-V, Arikace, Briclin, Novamin, Amikacin Dihydrate, Antibiotic BB-K 8, Amikacine [INN-French], Amikacinum [INN-Latin], Amikin (Disulfate), AMIKACIN SULFATE, Amikacina [INN-Spanish], BB-K8, Amikacin (USP/INN)

Molecular Formula: C22H43N5O13Molecular Weight: 585.602520 [g/mol]
H-Bond Donor: 13H-Bond Acceptor: 17

InChIKey: LKCWBDHBTVXHDL-RMDFUYIESA-N


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