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• 1,2,3,9-Tetrahydro-9-methyl-4H-carbazole-4-one

IUPAC Name: 9-methyl-2,3-dihydro-1H-carbazol-4-one | CAS Registry Number: 27387-31-1
Synonyms: 1,2,3,4-Tetrahydro-9-methylcarbazol-4-one, 1,2,3,9-TETRAHYDRO-9-METHYL-4H-CARBAZOLE-4-ONE, 9-Methyl-2,3,4,9-tetrahydro-1H-carbazol-4-one, 9-Methyl-1,2,3,9-tetrahydro-4H-carbazol-4-one, 9-methyl-2,3-dihydro-1H-carbazol-4-one, 9-methyl-1,2,3,4-tetrahydro-4-oxocarbazole, 9-Methyl-1,2,3,9-tetrahydro-carbazol-4-one, 9-Methyl-1,2,3,9-tetrahydro-carbazol-4-, 4H-Carbazol-4-one, 1,2,3,9-tetrahydro-9-methyl-, 9-methyl-1,2,3,9-tetrahydro-4aH-carbazol-4-one, ZERO/001167, PubChem9952, AGN-PC-0CUJQD, AC1LCC4S, Maybridge1_001957, SureCN1146660, Ondansetron related compound C, UNII-267IW42T7Z, AC1Q3Z59, Jsp005325

Molecular Formula:	C₁₃H₁₃NO	Molecular Weight:	199.248420 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: HHJUJCWZKJMCLC-UHFFFAOYSA-N

• 4,4'-Diaminobenzanilide

IUPAC Name: 4-amino-N-(4-aminophenyl)benzamide | CAS Registry Number: 785-30-8
Synonyms: DABA, p,p'-Diaminobenzanilide, Benzanilide, 4,4'-diamino-, 4-Aminobenzoyl-4'-aminoanilide, Oprea1_697167, 476315_ALDRICH, Benzamide, 4-amino-N-(4-aminophenyl)-, STOCK2S-19399, EINECS 212-321-5, 4-Amino-N-(4-aminophenyl)benzamide, NSC 37092, NSC37092, ZINC00057106, 4-amino-N-(4-aminophenyl)-benzamide, Benzanilide, 4,4'-diamino- (8CI), LS-7310

Molecular Formula:	C₁₃H₁₃N₃O	Molecular Weight:	227.261820 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: XPAQFJJCWGSXGJ-UHFFFAOYSA-N

• 4-phenylpiracetam

IUPAC Name: 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide | CAS Registry Number: 77472-70-9
Synonyms: 4-Phenylpiracetam, Oprea1_208829, Oprea1_429090, MLS000113218, 2-Oxo-4-phenyl-1-pyrrolidineacetamide, BRN 5030440, 1-Pyrrolidineacetamide, 2-oxo-4-phenyl-, SDCCGMLS-0035015.P002, BAS 00896741, SMR000109123, LS-137084, 2-(2-Oxo-4-phenyl-pyrrolidin-1-yl)-acetamide

Molecular Formula:	C₁₂H₁₄N₂O₂	Molecular Weight:	218.251760 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: LYONXVJRBWWGQO-UHFFFAOYSA-N

• 1,4-cyclohexane dicarboxylic acid

IUPAC Name: cyclohexane-1,4-dicarboxylic acid | CAS Registry Number: 1076-97-7
Synonyms: cis-Hexahydroterephthalic acid, Hexahydroterephthalic acid, 1,4-Dicarboxycyclohexane, trans-Hexahydroterephthalic acid, 1,4-CYCLOHEXANEDICARBOXYLIC ACID, Maybridge1_003835, Terephthalic acid, hexahydro-, cis-1,4-Cyclohexanedicarboxylic acid, 1,4-CHDA-HP, C100757_ALDRICH, trans-1,4-Cyclohexanedicarboxylic acid, 538035_ALDRICH, NSC621, EINECS 214-068-6, 1,4-Cyclohexanedicarboxylic acid,c&t, cyclohexane-1,4-dicarboxylic acid, 1,4-Cyclohexanedicarboxylic acid, trans-, NSC61121, EINECS 210-614-2, SBB008430

Molecular Formula:	C₈H₁₂O₄	Molecular Weight:	172.178480 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: PXGZQGDTEZPERC-UHFFFAOYSA-N

• 1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-(4-piperidinylmethyl)-, hydrochloride

IUPAC Name: 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one;hydrochloride | CAS Registry Number: 120013-39-0
Synonyms: 5,6-Dimethoxy-2-(4-piperidinylmethyl)-1-indanone hydrochloride, 5,6-Dimethoxy-2-(4-piperidylmethyl)-1-indanone Hydrochloride, 5,6-Dimethoxy-2-(piperidin-4-yl)methyl-indan-1-one HCL, (5,6-Dimethoxy-2-(4-piperidinylmethyl)-1-indanonehydrochloride), 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one hydrochloride, 2,3-dihydro-5,6-dimethoxy-2-(4-piperidinylmethyl)-1h-inden-1-one hydrochloride, SureCN4833887, AGN-PC-001SL5, ACMC-209a63, CHEMBL554887, CTK8A9418, MolPort-005-940-751, ACT04786, ANW-17449, SBB063519, AKOS015846059, AC-6970, AK-25113, BR-25113, I902

Molecular Formula:	C₁₇H₂₄ClNO₃	Molecular Weight:	325.830360 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: WOZXDQQCMZIQEG-UHFFFAOYSA-N

• 4-Hydroxy-2-(trifluoromethyl)pyrimidine

IUPAC Name: 2-(trifluoromethyl)-1H-pyrimidin-6-one | CAS Registry Number: 1546-80-1
Synonyms: ZINC01684582, NSC53585, CID243570, ST5408163, TL8007066

Molecular Formula:	C₅H₃F₃N₂O	Molecular Weight:	164.085330 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: PDCVDVCPQWFGAX-UHFFFAOYSA-N

• 2-(4-OCTYLPHENYL)-1-IODOETHANE

IUPAC Name: 1-(2-iodoethyl)-4-octylbenzene | CAS Registry Number: 162358-07-8
Synonyms: 1-(2-Iodoethyl)-4-octylbenzene, SureCN4254717, CTK6D8249, MolPort-003-849-682, 1-(2-Iodoethyl)-4-octyl-benzene, ANW-66776, AKOS016007566, AG-A-31559, AK-97059, KB-213173, FT-0673248

Molecular Formula:	C₁₆H₂₅I	Molecular Weight:	344.274170 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: YURZVKRFVMTWMC-UHFFFAOYSA-N

• 5'-O-(4,4'-Dimethoxytrityl)thymidine

IUPAC Name: 1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione | CAS Registry Number: 40615-39-2
Synonyms: Dimethoxytrityl-T, DmTr-T, DMT-T, 5'-O-Dimethyltritylthymidine, D7537_SIGMA, 360139_ALDRICH, 38824_FLUKA, AIDS410842, AIDS-410842, EINECS 255-003-1, ZINC04261976, 5'-O-(p,p'-Dimethoxytrityl)thymidine, Thymidine, 5'-O-(bis(4-methoxyphenyl)phenylmethyl)-, 138799-00-5

Molecular Formula:	C₃₁H₃₂N₂O₇	Molecular Weight:	544.594980 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: UBTJZUKVKGZHAD-UPRLRBBYSA-N

• 4-Anisic Acid

IUPAC Name: 4-methoxybenzoic acid | CAS Registry Number: 100-09-4
Synonyms: p-Anisic acid, Draconic acid, 4-Anisic acid, 4-METHOXYBENZOIC ACID, p-Methoxybenzoic acid, ANISIC ACID, Benzoic acid, 4-methoxy-, 4-Methoxybenzoate, Methoxybenzoic acid, Anisic acid, p-isomer, ANISIC ACID, PARA, 1sv3, P-Methoxy Benzoic Acid, NCIOpen2_004706, W394505_ALDRICH, 117390_ALDRICH, Kyselina 4-methoxybenzoova [Czech], 10550_FLUKA, 84688_FLUKA, CHEBI:40813

Molecular Formula:	C₈H₈O₃	Molecular Weight:	152.147320 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: ZEYHEAKUIGZSGI-UHFFFAOYSA-N

• 5-Bromoacetyl Salicylamide

IUPAC Name: 1,2-di(phenyl)ethenylbenzene | CAS Registry Number: 58-72-0
Synonyms: TRIPHENYLETHYLENE, Triphenylethene, Ethylene, triphenyl-, Benzilidenediphenylmethane, 1,1,2-Triphenylethylene, 1,2,2-Triphenylethylene, 1,2-diphenyl-vinyl-benzene, (1,2-Diphenylvinyl)benzene, T82805_ALDRICH, EINECS 200-395-1, NSC 17535, NSC17535, Benzene, 1,1',1''-(1-ethenyl-2-ylidene)tris-, C20H16, ZINC01758809, LS-68556, 1,1',1''-ethene-1,1,2-triyltribenzene, ST5406241, TL8003757, C14134

Molecular Formula:	C₂₀H₁₆	Molecular Weight:	256.341040 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: MKYQPGPNVYRMHI-UHFFFAOYSA-N

• (L)-3,5-Diiodotyrosine

IUPAC Name: 2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid | CAS Registry Number: 66-02-4
Synonyms: Diiodotyrosine, Jodgorgosaeure, Apothyrin, Flaianina, Jodgorgon, Agontan, Dityrin, Cemiod, Itir, Iodogorgoic acid, Iodogorgonic acid, Gorgoic acid, diiodo-, 3,5-Diiodo-L-tyrosine, 3,5-DIIODOTYROSINE, Gorgonic acid, diiodo-, 3,5-Diiodotyrocine, Tyrosine, 3,5-diiodo-, DL-3,5-Diiodotyrosine, L-Tyrosine, 3,5-diiodo-, 3,5-L-Diiodotyrosine

Molecular Formula:	C₉H₉I₂NO₃	Molecular Weight:	432.981600 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: NYPYHUZRZVSYKL-UHFFFAOYSA-N

• 4-[(4-Chlorophenyl)phenylmethyl]-1-piperazineethanol dihydrochloride

IUPAC Name: 2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanol | CAS Registry Number: 109806-71-5
Synonyms: 2-[4-[(4-Chlorophenyl)phenylmethyl]piperazin-1-yl]ethanol, 2-{4-[(4-Chloro-phenyl)-phenyl-methyl]-piperazin-1-yl}-ethanol, 2-(4-((4-Chlorophenyl)phenylmethyl)piperazin-1-yl)ethanol, 4-((4-Chlorophenyl)phenylmethyl)-1-piperazineethanol, Cetirizine ethanol, Cetirizine impurity G, AC1MQ1NV, SureCN1405261, UNII-PGV947X9B1, 2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethanol, AKOS015900402, AC-5591, Cetirizine dihydrochloride impurity G [EP], FT-0642682, ST51051457, A802089, I14-0467, 1-Piperazineethanol, 4-(p-chloro-alpha-phenylbenzyl)-, 1-Piperazineethanol, 4-((4-chlorophenyl)phenylmethyl)-, 2-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]ethanol

Molecular Formula:	C₁₉H₂₃ClN₂O	Molecular Weight:	330.851720 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: ZJQSBXXYLQGZBR-UHFFFAOYSA-N

• 5-[(3-Chlorophenyl)amino]-Benzo[c]-2,6-Naphthyridine-8-Carboxylic Acid

IUPAC Name: 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid | CAS Registry Number: 1009820-21-6
Synonyms: CX-4945, Silmitasertib, CX4945, CX 4945, 5-((3-Chlorophenyl)amino)benzo[c][2,6]naphthyridine-8-carboxylic acid, 5-(3-chlorophenylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid, UNII-N1E607PU86, CX-4945, CX4945, 5-[(3-Chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-Carboxylic Acid, 3NG, Silmitasertib [INN], S2248_Selleck, PubChem22588, SureCN629082, UNII-C6RWP0N0L2, Silmitasertib; CX 4945, CX 4945 (Silmitasertib), CX-4945 - Silmitasertib, cc-639, CHEMBL1230165

Molecular Formula:	C₁₉H₁₂ClN₃O₂	Molecular Weight:	349.770480 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: MUOKSQABCJCOPU-UHFFFAOYSA-N

• 1-(2-Tetrahydrofuroyl)piperazine

IUPAC Name: oxolan-2-yl(piperazin-1-yl)methanone | CAS Registry Number: 63074-07-7
Synonyms: 1-(2-Tetrahydrofuroyl)-piperazine, 1-(Tetrahydro-2-furoyl)piperazine, SBB005794, TL8004377

Molecular Formula:	C₉H₁₆N₂O₂	Molecular Weight:	184.235540 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: UKESBLFBQANJHH-UHFFFAOYSA-N

• 4-Pyridinecarboxylic acid, 2-(trifluoromethyl)-

IUPAC Name: 2-(trifluoromethyl)pyridine-4-carboxylic acid | CAS Registry Number: 131747-41-6
Synonyms: 2-(trifluoromethyl)isonicotinic acid, 2-(trifluoromethyl)pyridine-4-carboxylic acid, 2-(Trifluoromethyl)isonicotinicacid, SBB053024, AG-D-64437, 4-PYRIDINECARBOXYLIC ACID, 2-(TRIFLUOROMETHYL)-, PubChem18487, SureCN503171, AGN-PC-002GGU, ACMC-1C8B9, KSC174G3F, CTK0H4332, MolPort-000-140-100, 2-Trifluoromethyl-isonicotinic acid, ANW-52016, WT2008, AKOS006282770, AB42319, RP25065, AK-24076

Molecular Formula:	C₇H₄F₃NO₂	Molecular Weight:	191.107370 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: BZFGKBQHQJVAHS-UHFFFAOYSA-N

• 5-Cyanopyrimidine

IUPAC Name: pyrimidine-5-carbonitrile | CAS Registry Number: 40805-79-6
Synonyms: Pyrimidine-5-carbonitrile, 5-pyrimidinecarbonitrile, SBB065694, 5-Cyano pyrimidine, 5-Cyanopyrimidine;, PubChem11102, ACMC-209jgs, SureCN151747, CTK1D5572, MolPort-001-760-044, 40805-79-6 5-cyanopyrimidine, ANW-29498, CL1906, WT1327, ZINC08698486, AKOS005255397, AG-A-85210, AG-F-44903, HP23058, PB29060

Molecular Formula:	C₅H₃N₃	Molecular Weight:	105.097420 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: XVIAPHVAGFEFFN-UHFFFAOYSA-N

• 3-Oxo-4-androstene-17beta-carboxylic acid

IUPAC Name: 10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxylic acid | CAS Registry Number: 302-97-6
Synonyms: Etienic acid, 3-Keto-4-etiocholenic acid, Oprea1_350959, CID312816, NSC224320, NSC226121, Androst-4-ene-17-carboxylic acid, 3-oxo-, (17.beta.)-

Molecular Formula:	C₂₀H₂₈O₃	Molecular Weight:	316.434520 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: YQACAXHKQZCEOI-UHFFFAOYSA-N

• 5-Nitro-1.3-Benzene Dicarboxylic Acid

IUPAC Name: 5-nitrobenzene-1,3-dicarboxylic acid | CAS Registry Number: 618-88-2
Synonyms: 5-Nitroisophthalic acid, Isophthalic acid, 5-nitro-, 5-NITRO-M-PHTHALIC ACID, N18005_ALDRICH, 73450_FLUKA, 1,3-Benzenedicarboxylic acid, 5-nitro-, 1-Nitrobenzene-3,5-dicarboxylic acid, 5-Nitro-1,3-benzenedicarboxylic acid, AIDS019417, AIDS-019417, NSC66545, EINECS 210-568-3, Isophthalic acid, 5-nitro- (8CI), NSC 66545, 5-Nitrobenzene-1,3-dicarboxylic acid, SL-02131, TL8003971

Molecular Formula:	C₈H₅NO₆	Molecular Weight:	211.128400 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: NBDAHKQJXVLAID-UHFFFAOYSA-N

• 3-Quinuclidinone

IUPAC Name: 1-azabicyclo[2.2.2]octan-3-one | CAS Registry Number: 3731-38-2
Synonyms: Quinuclidone, Quinuclidin-3-one, 3-Quinuclidone, 3-Oxoquinuclidine, MKC-2, 1-Azabicyclo[2.2.2]octan-3-one, CHEBI:440109, CID19507, EINECS 223-087-9, NSC168448, BBR-007015, NSC 168448, 1-AZABICYCLO(2.2.2)OCTAN-3-ONE, S14-1242, InChI=1/C7H11NO/c9-7-5-8-3-1-6(7)2-4-8/h6H,1-5H, 1193-65-3, 29924-73-0, 82737-04-0

Molecular Formula:	C₇H₁₁NO	Molecular Weight:	125.168340 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: ZKMZPXWMMSBLNO-UHFFFAOYSA-N

• 2-Bromofluorene

IUPAC Name: 2-bromo-9H-fluorene | CAS Registry Number: 1133-80-8
Synonyms: 2-BROMO-9H-FLUORENE, 9H-Fluorene, 2-bromo-, AG-D-33172, ST50308049, NSC1463, 2-brom-9H-fluoren, SureCN415882, AC1L23MG, ACMC-1C7B2, KSC181A7P, 124060_ALDRICH, AC1Q251U, Jsp001035, 4-Bromo-2,2'-methylenebiphenyl, CTK0I1077, MolPort-000-152-004, ACN-S004453, NSC-1463, EINECS 214-480-6, ANW-16641

Molecular Formula:	C₁₃H₉Br	Molecular Weight:	245.114560 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: FXSCJZNMWILAJO-UHFFFAOYSA-N

• 5-Aminofluorescein

IUPAC Name: 6-amino-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one | CAS Registry Number: 3326-34-9
Synonyms: Fluoresceinamine, 4-Aminofluorescein, Fluoresceinamine-I, 1-Aminofluorescein, Fluoresceinamine Isomer I, 5(6)-Aminofluorescein, Fluorescein, 5-amino-, Fluoresceinamine, isomer I, Fluorescein amine isomer 1, 201626_ALDRICH, 46930_FLUKA, AIDS002275, FLUORESCEIN AMINE, ISOMER I, AIDS-002275, CID76845, EINECS 222-043-6, TL8002519, LT00847331, F-2945, 5-Amino-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid

Molecular Formula:	C₂₀H₁₃NO₅	Molecular Weight:	347.320920 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: GZAJOEGTZDUSKS-UHFFFAOYSA-N

• 5-Nitro-2-thiophenecarboxylic acid

IUPAC Name: 5-nitrothiophene-2-carboxylic acid | CAS Registry Number: 6317-37-9
Synonyms: 5-Nitro-2-thenoic acid, N6898_SIGMA, NSC41707, 5-Nitrothiophene-2-carboxylic acid, CID80591, EINECS 228-654-4, RF 01631, TL8004391

Molecular Formula:	C₅H₃NO₄S	Molecular Weight:	173.146620 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: UNEPVPOHGXLUIR-UHFFFAOYSA-N

• 4'-METHYLBIPHENYL-2-CARBOXYLIC ACID (CAS: 71-48-0)

• 5-Chloro-2-nitropyridine

IUPAC Name: 5-chloro-2-nitropyridine | CAS Registry Number: 52092-47-4
Synonyms: 2-Nitro-5-chloropyridine, NCIOpen2_001326, NSC90388, ZINC01580803, C249, TL8003442

Molecular Formula:	C₅H₃ClN₂O₂	Molecular Weight:	158.542520 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: YUBHMOQVHOODEI-UHFFFAOYSA-N

• 4-Hydroxy Butyrophenone

IUPAC Name: 4-(4-hydroxyphenyl)butan-2-one | CAS Registry Number: 5471-51-2
Synonyms: Raspberry ketone, Oxyphenalon, Frambinone, Rheosmin, Rasketone, Betuligenol, rasberry ketone, p-Hydroxybenzyl acetone, 4-(3-Oxobutyl)phenol, 4-(4-Hydroxyphenyl)-2-butanone, Hydroxyphenylbutanone, p-, (p-Hydroxybenzyl)acetone, 2-Butanone, 4-(4-hydroxyphenyl)-, p-hydroxyphenylbutan-2-one, 1-(p-Hydroxyphenyl)-3-butanone, 4-(p-Hydroxyphenyl)-2-butanone, FEMA No. 2588, WLN: QR D2V1, W258806_ALDRICH, W258814_ALDRICH

Molecular Formula:	C₁₀H₁₂O₂	Molecular Weight:	164.201080 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: NJGBTKGETPDVIK-UHFFFAOYSA-N

• 3-amino-4-cyclobutyl-2-oxobutanamide hydrochloride

IUPAC Name: 3-amino-4-cyclobutyl-2-oxobutanamide;hydrochloride | CAS Registry Number: 817169-86-1
Synonyms: 3-Amino-4-cyclobutyl-2-oxobutanamide hydrochloride, CTK8C2454, ANW-68415, AKOS016007056, AK-79677, KB-234579, 3-AMINO-4-CYCLOBUTYL-2-OXOBUTANAMIDE HCL

Molecular Formula:	C₈H₁₅ClN₂O₂	Molecular Weight:	206.669900 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: IYUGMAUQLONHLQ-UHFFFAOYSA-N

• 2,9-Dimethyl-1,10-Phenanthroline

IUPAC Name: 2,9-dimethyl-1,10-phenanthroline | CAS Registry Number: 484-11-7
Synonyms: Neocuproine, Neocuproin, neo-Cuproin, nchembio813-comp4, 2,9-Dimethylphenanthroline, 2,9-Dimethyl-1,10-phenanthroline, neocuproine hydrochloride, NCIMech_000034, 2,9-Dimethyl-o-phenanthroline, neocuproine monohydrochloride, NSC4280, 1,10-Phenanthroline, 2,9-dimethyl-, Oprea1_068014, MLS001194484, N1501_SIAL, NSC 4280, EINECS 207-601-9, 3,6-dimethyl-4,5-phenanthroline, AIDS016062, AIDS-016062

Molecular Formula:	C₁₄H₁₂N₂	Molecular Weight:	208.258480 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: IYRGXJIJGHOCFS-UHFFFAOYSA-N

• 5-Chlorobenzosuberane

Synonyms: 5-Chlorodibenzosuberane, C34308_ALDRICH, NSC86154, EINECS 214-910-2, NSC 86154, WLN: L C676&T&J BG, CID14587, BRN 0612280, LS-60691, 5-Chlorodibenzo[a,d]cyclohepta[1,4]diene, 5-Chloro-10,11-dihydro-5H-dibenzo(a,d)cycloheptene, 5-Chloro-10,11-dihydro-5H-dibenzo[a,d]cycloheptene, 4-05-00-02198 (Beilstein Handbook Reference), 5H-Dibenzo[a,d]cycloheptene, 5-chloro-10,11-dihydro-, 5H-DIBENZO(a,d)CYCLOHEPTENE, 10,11-DIHYDRO-5-CHLORO-, 5H-Dibenzo[a,d]cycloheptene, 10,11-dihydro-5-chloro-, 5H-Dibenzo(a,d)cycloheptene, 5-chloro-10,11-dihydro- (8CI), 5H-Dibenzo(a,d)cycloheptene, 5-chloro-10,11-dihydro- (8CI)(9CI), InChI=1/C15H13Cl/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8,15H,9-10H

Molecular Formula:	C₁₅H₁₃Cl	Molecular Weight:	228.716720 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: QPERNSDCEUTOTE-UHFFFAOYSA-N

• 5-Amino-tetrazole mono-hydrate

IUPAC Name: 2H-tetrazol-5-amine | CAS Registry Number: 4418-61-5
Synonyms: 5-Aminotetrazole, Aminotetrazole, 1H-Tetrazol-5-amine, Tetrazol-5-ylamine, 1H-Tetrazole, 5-amino-, 5-AMINO-1H-TETRAZOLE, 5-Amino-1,2,3,4-tetrazole, 550728_ALDRICH, NSC 3004, EINECS 224-581-7, NSC3004, AIDS020354, AIDS-020354, SBB004398, AI3-23021, LS-149081, TL8003081, EU-0000391, 167101-82-8, 29212-86-0

Molecular Formula:	CH₃N₅	Molecular Weight:	85.068020 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: ULRPISSMEBPJLN-UHFFFAOYSA-N

• 6-Chloro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione

IUPAC Name: 6-chloro-1,3-dimethylpyrimidine-2,4-dione | CAS Registry Number: 6972-27-6
Synonyms: 6-Chloro-1,3-dimethyluracil, C5663_SIGMA, NSC61919, EINECS 230-205-2, ZINC00333864, ST5307850, 6-Chloro-2,4-dihydroxy-1,3-dimethylpyrimidine, AH-262/02642049, 6-chloro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione

Molecular Formula:	C₆H₇ClN₂O₂	Molecular Weight:	174.584980 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: VATQPUHLFQHDBD-UHFFFAOYSA-N

• (R)-1-Methyl-3-pyrrolidinol

IUPAC Name: (3R)-1-methylpyrrolidin-3-ol | CAS Registry Number: 104641-60-3
Synonyms: (R)-(-)-1-Methyl-3-pyrrolidinol, (R)-3-Hydroxy-1-methyl-pyrrolidine, (R)-(-)-1-Methyl-3-hydroxypyrrolidine, (3R)-1-methylpyrrolidin-3-ol, (R)-1-Methyl-pyrrolidin-3-ol, (R)-3-Hydroxy-1-methylpyrrolidine, AG-D-17109, (R)-(-)-3-Hydroxy-N-methylpyrrolidine, PubChem13969, AC1OCVM7, R-1MEHP, SureCN133294, (R)1-methyl-3-pyrrolidinol, (R)-1-methylpyrrolidin-3-ol, 647241_ALDRICH, Jsp000457, CTK4A3190, MolPort-001-768-440, ACN-S002117, ACT05087

Molecular Formula:	C₅H₁₁NO	Molecular Weight:	101.146940 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: FLVFPAIGVBQGET-RXMQYKEDSA-N

• 2-Nitrobenzeneboronic acid

IUPAC Name: (2-nitrophenyl)boronic acid | CAS Registry Number: 5570-19-4
Synonyms: 2-Borononitrobenzene, 2-Nitrophenylboronic acid, 673862_ALDRICH, BM163, ST5408355

Molecular Formula:	C₆H₆BNO₄	Molecular Weight:	166.927140 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: SFUIGUOONHIVLG-UHFFFAOYSA-N

• 2-Amino-4,6-dimethylpyrimidine

IUPAC Name: 4,6-dimethylpyrimidin-2-amine | CAS Registry Number: 767-15-7
Synonyms: Acetylacetoneguanidine, 4,6-Dimethyl-2-pyrimidinamine, 2-Pyrimidinamine, 4,6-dimethyl-, 2-AMINO-4,6-DIMETHYLPYRIMIDINE, 4,6-Dimethylpyrimidin-2-ylamine, Pyrimidine, 2-amino-4,6-dimethyl-, A52005_ALDRICH, ACETYLACETONE GUANIDINE, NSC 3278, 07850_FLUKA, EINECS 212-181-5, NSC3278, AIDS020788, AIDS-020788, SBB004275, ZINC00163774, AI3-08092, LS-134481, TL8005260, Pyrimidine, 2-amino-4,6-dimethyl- (8CI)

Molecular Formula:	C₆H₉N₃	Molecular Weight:	123.155760 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: IDQNBVFPZMCDDN-UHFFFAOYSA-N

• 2H-Oxacyclotetradecino[4,3-d]oxazole-2,6,8,14(1H,7H,9H)-tetrone,4-ethyloctahydro-11-methoxy-3a,7,9,11,13,15-hexamethyl-1-[4-[4-(3-pyridinyl)-1H-imidazol-1-yl]butyl]-10-[[3,4,6-trideoxy-3-(dimethylamino)-b-D-xylo-hexopyranosyl]oxy]-,(3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-

IUPAC Name: (1R,2R,4R,6R,7R,8R,10R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-17-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone | CAS Registry Number: 191114-48-4
Synonyms: Ketek, Telithromycin 90%, (3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-4-Ethyloctahydro-11-methoxy-3a,7,9,11,13,15-hexamethyl-1-[4-[4-(3-pyridinyl)-1H-imidazol-1-yl]butyl]-10-[[3,4,6-trideoxy-3-(dimethylamino)-|A-D-xylo-hexopyranosyl]oxy]-2H-oxacyclotetradecino[4,3-d]oxazole-2,6,8,14(1H,7H,9H)tetrone

Molecular Formula:	C₄₃H₆₅N₅O₁₀	Molecular Weight:	812.003700 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	13

InChIKey: LJVAJPDWBABPEJ-WMHCQVJESA-N

• 1-(2-cyanobiphenyl-4-yl-methyl)- 2-ethoxybenzimidazole-7-carboxylic Acid Ethyl Ester

IUPAC Name: methyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethoxybenzimidazole-4-carboxylate | CAS Registry Number: 139481-44-0
Synonyms: AG-D-79570, Methyl 1-((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate, Methyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxy-1H-benzimidazole-7-carboxylate, 3-(2'-Cyano-biphenyl-4-ylmethyl)-2-ethoxy-3H-benzoimidazole-4-carboxylic acid methyl ester, METHYL 1-((2'-CYANOBIPHENYL-4-YL)METHYL)-2-ETHOXY-1H-BENZO[D]IMIDAZOLE-7-CARBOXYLATE, 1H-Benzimidazole-7-carboxylic acid, 1-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-2-ethoxy-, methyl ester, 1H-Benzimidazole-7-carboxylicacid, 1-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-2-ethoxy-, methyl ester, 1H-Benzimidazole-7-carboxylicacid, 1-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-2-ethoxy-methylester, ACMC-209vl7, SureCN3976108, BEN721, CTK4C1826, MolPort-005-938-597, ANW-45209, CX1031, QC-596, ZINC21992940, AKOS015896142, AC-7777, LS40975

Molecular Formula:	C₂₅H₂₁N₃O₃	Molecular Weight:	411.452540 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: KSXLHOFDCDKQLH-UHFFFAOYSA-N

• 9-Vinylcarbazole

IUPAC Name: 9-ethenylcarbazole | CAS Registry Number: 1484-13-5
Synonyms: N-Vinylcarbazole, Vinylcarbazole, 1-Vinylcarbazole, N-Ethenylcarbazole, Poly(vinylcarbazole), Tuvical 210, Vinylcarbazole polymer, Poly-N-vinylcarbazole, Luvican M 150, Luvican M 170, 9-Ethenyl-9H-carbazole, Poly(9-vinylcarbazole), CARBAZOLE, 9-VINYL-, N-Vinylkarbazol [Czech], 9H-Carbazole, 9-ethenyl-, 9-Vinyl-9H-carbazole, N-Vinylcarbazole homopolymer, 9-Vinylcarbazole homopolymer, POLYVINYL CARBAZOLE, Carbazole, 9-vinyl-, polymer

Molecular Formula:	C₁₄H₁₁N	Molecular Weight:	193.243840 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: KKFHAJHLJHVUDM-UHFFFAOYSA-N

• 2-(4-Fluorophenyl)-5-[(5-Iodo-2-Methylphenyl)methyl]thiophene

IUPAC Name: 2-(4-fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene | CAS Registry Number: 898566-17-1
Synonyms: 2-(4-Fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene, SureCN1585350, THI045, CTK5G3633, MolPort-009-198-155, ANW-57820, ZINC39351846, AKOS005145830, AG-H-63341, QC-6123, AK-36802, KB-66856, FT-0646688, ST51053373, A843352, I06-2101, 2-(4-fluorophenyl)-5-(5-iodo-2-methylbenzyl)thiophene, 2-(4-fluorophenyl)-5-[(5-iodanyl-2-methyl-phenyl)methyl]thiophene, Thiophene, 2-(4-fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]-, Thiophene,2-(4-fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]-

Molecular Formula:	C₁₈H₁₄FIS	Molecular Weight:	408.271633 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: MGXZKAYHSITHMW-UHFFFAOYSA-N

• (2,3,4,5-Bis-o-(1-methylethylidene)- b-D-fructopyranose) (CAS: 20880-92-8)

• 2,3-Pyridine dicarboxylic acid

IUPAC Name: pyridine-2,3-dicarboxylic acid

Molecular Formula:	C₇H₅NO₄	Molecular Weight:	167.120 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: GJAWHXHKYYXBSV-UHFFFAOYSA-N

• 4-Iodophenylacetic acid

IUPAC Name: 2-(4-iodophenyl)acetic acid | CAS Registry Number: 1798-06-7
Synonyms: Ambap3561, NSC4614

Molecular Formula:	C₈H₇IO₂	Molecular Weight:	262.044450 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: FJSHTWVDFAUNCO-UHFFFAOYSA-N

• 5-(Chloromethyl)uracil

IUPAC Name: 5-(chloromethyl)-1H-pyrimidine-2,4-dione | CAS Registry Number: 3590-48-5
Synonyms: 546003_ALDRICH, NSC667749, AIDS144663, AIDS-144663, NSC38188, ZINC01670523, 5-(Chloromethyl)-2,4-pyrimidinediol

Molecular Formula:	C₅H₅ClN₂O₂	Molecular Weight:	160.558400 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: UCDUBKRXOPMNGH-UHFFFAOYSA-N

• (2R,5S)-5-(4-amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-Oxathiolane-2-carboxylic acid, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester

IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-1,3-oxathiolane-2-carboxylate | CAS Registry Number: 764659-72-5
Synonyms: (2S,5R)-(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylate, SureCN2488632, AKOS016010265, AK114730, AK142210, (2R,5S)-(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylate

Molecular Formula:	C₁₈H₂₆FN₃O₄S	Molecular Weight:	399.480143 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: AUTCQXVTOIJYOT-URSAWGJDSA-N

• 1-Chloronaphthalene

IUPAC Name: 1-chloronaphthalene | CAS Registry Number: 90-13-1
Synonyms: 1-CHLORONAPHTHALENE, xilamon, xylamon, Naphthalene, 1-chloro-, alpha-Chloronaphthalene, 1-Naphthyl chloride, alpha-Chlornaphthalene, .alpha.-Chloronaphthalene, alpha-Naphthyl chloride, 1-Chlornaftalen [Czech], .alpha.-Chlornaphthalene, CCRIS 5546, WLN: L66J BG, HSDB 5269, 442259U_SUPELCO, 185752_ALDRICH, NSC 6166, 25320_FLUKA, EINECS 201-967-3, NSC6166

Molecular Formula:	C₁₀H₇Cl	Molecular Weight:	162.615580 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: JTPNRXUCIXHOKM-UHFFFAOYSA-N

• 2,4,5-Trifluorophenylacetic acid

IUPAC Name: 2-(2,4,5-trifluorophenyl)acetic acid | CAS Registry Number: 209995-38-0
Synonyms: 684155_ALDRICH, JRD-0716, TL8001736

Molecular Formula:	C₈H₅F₃O₂	Molecular Weight:	190.119310 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: YSQLGGQUQDTBSL-UHFFFAOYSA-N

• 1,8-Diazabicyclo(5.4.0)undec-7-ene

IUPAC Name: 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine | CAS Registry Number: 6674-22-2
Synonyms: MLS000039793, 139009_ALDRICH, 33482_FLUKA, 1,5-Diazabicyclo[5.4.0]undec-5-ene, EINECS 229-713-7, 1,8-Diazabicyclo[5.4.0]undec-7-ene, NSC111184, NSC 111184, 1,5-Diazabicyclo(5.4.0)undec-5-ene, SMR000036948, ST5308548, Pyrimido[1,2-a]azepine, 2,3,4,6,7,8,9,10-octahydro-, 2,3,4,6,7,8,9,10-Octahydropyrimidol[1,2-a]azepine, 2,3,4,6,7,8,9,10-Octahydropyrimido(1,2-alpha)azepine, Pyrimido(1,2-a)azepine, 2,3,4,6,7,8,9,10-octahydro-, 2,3,4,6,7,8,9,10-Octahydropyrimido[1,2-.alpha.]azepine, DBU, 31171-04-7, 41015-70-7, 51301-56-5

Molecular Formula:	C₉H₁₆N₂	Molecular Weight:	152.236740 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: GQHTUMJGOHRCHB-UHFFFAOYSA-N

• 4-Hydroxyphenylacetic acid (CAS: 587-64-8)

• 1-aminoindane Hydrochloride

IUPAC Name: 2,3-dihydro-1H-inden-1-amine hydrochloride | CAS Registry Number: 70146-15-5
Synonyms: NSC186227

Molecular Formula:	C₉H₁₂ClN	Molecular Weight:	169.651280 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	1

InChIKey: RHAAGWRBIVCBSY-UHFFFAOYSA-N

• 2-Piperidinemethanamine

IUPAC Name: piperidin-2-ylmethanamine | CAS Registry Number: 22990-77-8
Synonyms: 2-Aminomethylpiperidine, Piperidine-2-methylamine, 2-(Aminomethyl)piperidine, Piperidine, 2-(aminomethyl)-, 656518_ALDRICH, EINECS 245-371-1, TL8001919

Molecular Formula:	C₆H₁₄N₂	Molecular Weight:	114.188760 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: RHPBLLCTOLJFPH-UHFFFAOYSA-N

• 3,5-Dimethoxyaniline

IUPAC Name: 3,5-dimethoxyaniline | CAS Registry Number: 10272-07-8
Synonyms: 3,5-Dimethoxybenzeneamine, Benzenamine, 3,5-dimethoxy-, D130001_ALDRICH, 5-Aminoresorcinol dimethyl ether, 38600_FLUKA, EINECS 233-616-5, ZINC00164493, ST5308258, TL8000128, InChI=1/C8H11NO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,9H2,1-2H

Molecular Formula:	C₈H₁₁NO₂	Molecular Weight:	153.178440 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: WNRGWPVJGDABME-UHFFFAOYSA-N

• 2-Amino-5-hydroxypyridine

IUPAC Name: 6-aminopyridin-3-ol | CAS Registry Number: 55717-46-9
Synonyms: 6-aminopyridin-3-ol, 3-Pyridinol, 6-amino-, 2-Amino-5-hydroxypryidine, zlchem 696, PubChem5754, SDCCGMLS-0065657.P001, 6-Amino-pyridin-3-ol, ACMC-209los, 5-Hydroxypyridin-2-amine, SureCN116414, AC1N6AS6, 2-AMINO-5-PYRIDINOL, 6-AMINO-3-PYRIDINOL, KSC269G4D, CTK1G9341, ZLD0148, 6-AMINO-3-HYDROXYPYRIDINE, MolPort-000-000-940, HMS1655F13, ACT01298

Molecular Formula:	C₅H₆N₂O	Molecular Weight:	110.113940 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: ZTWYBFHLUJUUDX-UHFFFAOYSA-N