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Ningbo Pangs Chem Int'l Co., Ltd.

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Profile: Ningbo Pangs Chem Int'l Co., Ltd. is a supplier of natural plant extracts, nutritional supplements and chemical materials. Our product line includes pharmaceutical chemicals such as 4-hydroxycoumarin, 5-fluorouracil, adenine, baclofen, biapenem, captopril, dimetridazole, glimepiride, nateglinide, niflumic acid, morniflumate, chitosan and metoprolol. We offer nutritional additives such as fructose, chondroitin sulfate, melatonin, calcium caseinate, calcium citrate, calcium gluconate, ferrous lactate and potassium sorbate.

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• 2-Thienylglyoxylic acid
IUPAC Name: 2-oxo-2-thiophen-2-ylacetic acid | CAS Registry Number: 4075-59-6
Synonyms: Thiophene-2-glyoxylic acid, 2-Thiopheneglyoxylic acid, 222275_ALDRICH, alpha-Oxothiophen-2-acetic acid, alpha-Oxo-2-thiopheneacetic acid, CID77694, EINECS 223-794-2, 2-Thiopheneacetic acid, .alpha.-oxo-, 3Y-0962

Molecular Formula: C6H4O3SMolecular Weight: 156.159160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GIWRVUADKUVEGU-UHFFFAOYSA-N

• 4,6-Dihydroxy-5-methoxypyrimidine
IUPAC Name: 4-hydroxy-5-methoxy-1H-pyrimidin-6-one | CAS Registry Number: 5193-84-0
Synonyms: 5-methoxypyrimidine-4,6-diol, SureCN2231363, CTK4J5147, MolPort-000-140-143, ANW-59478, AKOS006344224, AG-L-23490, LS20087, RP01311, AK-35450, HC210148, KB-35799, 4(3H)-Pyrimidinone,6-hydroxy-5-methoxy-, TL8003437, FT-0600944, ST51054500, S03-0012, 4(1H)-Pyrimidinone,6-hydroxy-5-methoxy- (9CI);4,6-Pyrimidinediol, 5-methoxy- (7CI,8CI);

Molecular Formula: C5H6N2O3Molecular Weight: 142.112740 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: JSEPQQUEVRZWST-UHFFFAOYSA-N

• 1-(4-Hydroxyphenyl)-5-mercaptotetrazole
IUPAC Name: 1-(4-hydroxyphenyl)-2H-tetrazole-5-thione | CAS Registry Number: 52431-78-4
Synonyms: H7023_SIGMA, 371599_ALDRICH, ZINC02504589, EINECS 257-909-2, ZINC00156074, CID3034725, 1-(4-Hydroxyphenyl)-1H-tetrazole-5-thiol, T5655011, 1,2-Dihydro-1-(p-hydroxyphenyl)-5H-tetrazole-5-thione, 5H-Tetrazole-5-thione, 1,2-dihydro-1-(4-hydroxyphenyl)-

Molecular Formula: C7H6N4OSMolecular Weight: 194.213740 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: MOXZSKYLLSPATM-UHFFFAOYSA-N

• 5-Amino-1-phenylpyrazole-4-carbonitrile
IUPAC Name: 5-amino-1-phenylpyrazole-4-carbonitrile | CAS Registry Number: 5334-43-0
Synonyms: Enamine_001890, MLS000055483, NSC1414, 389595_ALDRICH, 5-Amino-4-cyano-1-phenylpyrazole, CID79256, EINECS 226-253-9, SBB005515, ZINC00360882, 5-Amino-1-phenyl-1H-pyrazole-4-carbonitrile, SMR000065990, 1H-Pyrazole-4-carbonitrile, 5-amino-1-phenyl-, AN-647/13068004, SR-01000396951-2, InChI=1/C10H8N4/c11-6-8-7-13-14(10(8)12)9-4-2-1-3-5-9/h1-5,7H,12H

Molecular Formula: C10H8N4Molecular Weight: 184.197320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: MAKQREKUUHPPIS-UHFFFAOYSA-N

• 1-(3,4-Dichlorophenyl)piperazine hydrochloride
IUPAC Name: 1-(3,4-dichlorophenyl)piperazine | CAS Registry Number: 57260-67-0
Synonyms: 1-(3,4-Dichlorophenyl)piperazine, Oprea1_322373, 51091_FLUKA, 55927_FLUKA, N-(3,4-Dichlorophenyl)piperazine, 1-(3,4-Dichlorophenyl)-piperazine, EINECS 260-652-9, SBB003275, TL8003686

Molecular Formula: C10H12Cl2N2Molecular Weight: 231.121680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: PXFJLKKZSWWVRX-UHFFFAOYSA-N

• 2-Methylthiopyrimidin-4-ol
IUPAC Name: 2-methylsulfanyl-1H-pyrimidin-6-one | CAS Registry Number: 5751-20-2
Synonyms: 2-Methylthiouracil, 2-(Methylthio)-4-pyrimidone, 4-Hydroxy-2-methylthiopyrimidine, 4(1H)-Pyrimidinone, 2-(methylthio)-, 2-(methylsulfanyl)pyrimidin-4-ol, 4-Pyrimidinol, 2-(methylthio)-, EINECS 227-274-6, 2-(Methylthio)-1H-pyrimidin-4-one, NSC125339, NSC165518, ZINC05037785, ST5188714, PB295540788, AC-907/30003037

Molecular Formula: C5H6N2OSMolecular Weight: 142.178940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: UYHSQVMHSFXUOA-UHFFFAOYSA-N

• 1-(4-Nitrophenyl)piperazine
IUPAC Name: 1-(4-nitrophenyl)piperazine | CAS Registry Number: 6269-89-2
Synonyms: Piperazine, 1-(4-nitrophenyl)-, Oprea1_305105, 1-(4-Nitrophenyl)-piperazine, 279773_ALDRICH, TOS-BB-0562, NSC33874, EINECS 228-443-7, SBB003475, ST5213758, TL8004239, InChI=1/C10H13N3O2/c14-13(15)10-3-1-9(2-4-10)12-7-5-11-6-8-12/h1-4,11H,5-8H

Molecular Formula: C10H13N3O2Molecular Weight: 207.229120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: VWOJSRICSKDKAW-UHFFFAOYSA-N

• 1-(4-Fluorophenyl)-1,3-dihydroIsobenzofuran-5-carbonitrile
IUPAC Name: 1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile | CAS Registry Number: 64169-67-1
Synonyms: 1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile, 1-(4-fluorophenyl)-1,3-dihydro-isobenzofuran-5-Carbonitrile, ST069374, 1-(4-Fluorophenyl)-1,3-dihydro isobenzofuran-5-carbonitile, 1- pound 4-fluorophenyl pound(c)-1,3-dihydro-isobenzofuran-5-Carbonitrile, PubChem7082, SureCN1686, CTK8B8513, MolPort-003-847-435, 1-(4-Fluorophenyl)-5-cyanophthalan, ANW-60535, AKOS005065533, AG-G-40560, MCULE-3671391187, RP17862, AK-93044, I088, KB-09089, LU 17-046, TL8004532

Molecular Formula: C15H10FNOMolecular Weight: 239.244403 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: YXCRMKYHFFMNPT-UHFFFAOYSA-N

• 2-Azaspiro-[4,5]-decan-3-one
IUPAC Name: 2-azaspiro[4.5]decan-3-one | CAS Registry Number: 64744-50-9
Synonyms: 2-azaspiro[4.5]decan-3-one, 553743_ALDRICH, 3-Azaspiro[4.5]decan-2-one, 2-AZASPIRO(4,5)DECAN-3-ONE, 4,4-Pentamethylene-2-pyrrolidinone, CID47457, BRN 0119500, 2-PYRROLIDONE,4,4-PENTAMETHYLENE, LS-22729, beta,beta-Pentamethylen-gamma-butyrolactam [German], 5-21-07-00071 (Beilstein Handbook Reference), InChI=1/C9H15NO/c11-8-6-9(7-10-8)4-2-1-3-5-9/h1-7H2,(H,10,11

Molecular Formula: C9H15NOMolecular Weight: 153.221500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: JAWPQJDOQPSNIQ-UHFFFAOYSA-N

• 2-Nitrobenzenesulfenyl chloride
IUPAC Name: (2-nitrophenyl) thiohypochlorite | CAS Registry Number: 7669-54-7
Synonyms: 2-Nitrophenylsulfenyl chloride, o-Nitrobenzenesulfenyl chloride, o-Nitrophenylsulphenyl chloride, o-Nitrobenzenesulphenyl chloride, Benzenesulfenyl chloride, 2-nitro-, STOCK5S-58333, O-NITROPHENYLSULFENYL CHLORIDE, Benzenesulfenyl chloride, o-nitro-, NSC16179, EINECS 231-644-2, NSC 16179, Benzenesulfenyl chloride, o-nitro- (8CI), InChI=1/C6H4ClNO2S/c7-11-6-4-2-1-3-5(6)8(9)10/h1-4

Molecular Formula: C6H4ClNO2SMolecular Weight: 189.619460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NTNKNFHIAFDCSJ-UHFFFAOYSA-N

• 3,5-Dimethoxy-4-hydroxybenzalazine
IUPAC Name: 4-[[2-[(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]methylidene]-2,6-dimethoxycyclohexa-2,5-dien-1-one | CAS Registry Number: 14414-32-5
Synonyms: Syringaldazine, MLS000393243, S7896_SIGMA, W404901_ALDRICH, EINECS 238-390-1, ZINC02166843, ZINC06661298, 4-Hydroxy-3,5-dimethoxybenzaldehyde azine, CID5379425, SMR000248001, ST5308566, S-9900, T0508-5062, Benzaldehyde, 4-hydroxy-3,5-dimethoxy-, ((4-hydroxy-3,5-dimethoxyphenyl)methylene)hydrazone, Benzaldehyde, 4-hydroxy-3,5-dimethoxy-, [(4-hydroxy-3,5-dimethoxyphenyl)methylene]hydrazone

Molecular Formula: C18H20N2O6Molecular Weight: 360.361200 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: MYNVJNZGTAVRJD-UHFFFAOYSA-N

• (S)-4-(4-Aminobenzyl)-1,3-oxazolidin-2-one
IUPAC Name: (4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one | CAS Registry Number: 152305-23-2
Synonyms: (S)-4-(4-Aminobenzyl)-2(1H)-oxazolidinone, (S)-4-(4-Aminobenzyl)-2-oxazolidinone, (S)-4-(4-aminobenzyl)oxazolidin-2-one, (4S)-4-[(4-Aminophenyl)methyl]-2-oxazolidinone, (S)-4-(4-AMINO-BENZYL)-OXAZOLIDINE-2-ONE, (S)-4-(4-AMINOBENZYL)-1,3-OXAZOLIDIN-2-ONE, (4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one, (S)-4-(4-Aminobenzyl)-1,3-oxozolidin-2-one, SBB070336, AG-D-99528, (S)-4-(4'-AMINOBENZYL)-1,3-OXAZOLIDIN-2-ONE, (4s)-(4-aminobenzyl)-2-oxazolidine-2-one, 340041-89-6, PubChem7548, AC1OFFG2, SureCN825617, ZTR 5, 658405_ALDRICH, Jsp002933, CTK4C7393

Molecular Formula: C10H12N2O2Molecular Weight: 192.214480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: WNAVSKJKDPLWBD-VIFPVBQESA-N

• 1-Methylindole-2-carboxylic acid
IUPAC Name: 1-methylindole-2-carboxylic acid | CAS Registry Number: 16136-58-6
Synonyms: ChemDiv3_011259, 1-Methyl-1H-indole-2-carboxylic acid, 1-Methyl-2-indolecarboxylic acid, 134155_ALDRICH, Indole-2-carboxylic acid, 1-methyl-, 1H-INDOLE-2-CARBOXYLIC ACID, 1-METHYL-, AIDS052337, AIDS-052337, ALBB-007751, NSC68357, BRN 0007274, IDI1_028817, LS-82730, ST039851, EU-0015870, M-4050, 5-22-03-00015 (Beilstein Handbook Reference), CS-007/03901012, InChI=1/C10H9NO2/c1-11-8-5-3-2-4-7(8)6-9(11)10(12)13/h2-6H,1H3,(H,12,13

Molecular Formula: C10H9NO2Molecular Weight: 175.183960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: MAHAMBLNIDMREX-UHFFFAOYSA-N

• 1,3-Di(4-piperidyl)propane 4,4-Trimethyiene piperidinopiperidine
IUPAC Name: 4-(3-piperidin-4-ylpropyl)piperidine | CAS Registry Number: 16898-52-5
Synonyms: DI-PIP, Piperid Pr-bis deriv., 4,4'-Trimethylenedipiperidine, 1,3-Di-4-piperidylpropane, Maybridge4_003634, 1,3-Bis(4-piperidyl)propane, Oprea1_445285, Piperidine, 4,4'-trimethylenedi-, 1,3-Di(4-Piperidyl)propane, 121207_ALDRICH, Piperidine, 4,4'-(1,3-propanediyl)bis-, AIDS006073, 4,4'-(1,3-Propanediyl)bispiperidine, AIDS-006073, NSC96364, EINECS 240-941-6, NSC 96364, 1,3-BIS-4-PIPERIDYL PROPANE, 4,4'-(1,3-Propanediyl)bis(piperidine), Piperidine, 4,4'-trimethylenedi- (8CI)

Molecular Formula: C13H26N2Molecular Weight: 210.358940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: OXEZLYIDQPBCBB-UHFFFAOYSA-N

• 2-Phenoxylethylamine
IUPAC Name: 2-(phenoxy)ethanamine | CAS Registry Number: 1758-46-9
Synonyms: Phenoxyethylamine, 2-Phenoxyethylamine, 2-phenoxyethanamine, Ethanamine, 2-phenoxy-, 1-Amino-2-phenoxyethane, alpha-Phenoxy-beta-aminoethane, ETHYLAMINE, 2-PHENOXY-, 448400_ALDRICH, EINECS 217-153-6, BRN 0774671, LS-68267, ST5437561, TL8001395, 4-06-00-00663 (Beilstein Handbook Reference), InChI=1/C8H11NO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7,9H

Molecular Formula: C8H11NOMolecular Weight: 137.179040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: IMLAIXAZMVDRGA-UHFFFAOYSA-N

• 2′-O-Methyluridine
IUPAC Name: 1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione | CAS Registry Number: 2140-76-3
Synonyms: 2'-O-Methyluridine, O(2')-Methyluridine, Uridine, 2'-O-methyl-, CID102212, TL8006287, 1-((2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxytetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione

Molecular Formula: C10H14N2O6Molecular Weight: 258.227960 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: SXUXMRMBWZCMEN-ZOQUXTDFSA-N

• 4-Methoxybenzoic Acid Sodium
IUPAC Name: 2-chloro-4,6-dimethoxypyrimidine | CAS Registry Number: 13223-25-1
Synonyms: 2-Chloro-4,6-dimethoxypyrimidine, 2-chloro-4,6-dimethoxy-pyrimidine, PubChem7010, ACMC-1CB5H, AC1NP78R, KSC495M8N, 61336_ALDRICH, AC1Q49B7, 61336_FLUKA, CTK3J5686, PBEKEFWBLFBSGQ-UHFFFAOYSA-, 4,6-dimethoxy-2-chloropyrimidine, MolPort-001-792-981, 2-chloro-4,6-dimethoxy pyrimidine, ACT01488, ANW-19419, ZINC02564876, AKOS005255432, AC-6768, AG-D-65505

Molecular Formula: C6H7ClN2O2Molecular Weight: 174.584980 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: PBEKEFWBLFBSGQ-UHFFFAOYSA-N

• 1-benzothiophene-3-carbaldehyde
IUPAC Name: 1-benzothiophene-3-carbaldehyde | CAS Registry Number: 5381-20-4
Synonyms: Benzo[b]thiophene-3-carboxaldehyde, Thianaphthene-3-carboxaldehyde, 494968_ALDRICH, NSC18872, ZINC00158708, CC 12304, TL8003527

Molecular Formula: C9H6OSMolecular Weight: 162.208340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: WDJLPQCBTBZTRH-UHFFFAOYSA-N

• 2-Nitrobenzenesulfonamide
IUPAC Name: 2-nitrobenzenesulfonamide | CAS Registry Number: 5455-59-4
Synonyms: 2-Nitrobenzenesulphonamide, 228907_ALDRICH, NSC629275, AIDS133478, AIDS-133478, NSC23381, ZINC01602580, 2-(Hydroxy(oxido)amino)benzenesulfonamide, ST5429713

Molecular Formula: C6H6N2O4SMolecular Weight: 202.187840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: GNDKYAWHEKZHPJ-UHFFFAOYSA-N

• 2-Methyl-6-nitroaniline
IUPAC Name: 2-methyl-6-nitroaniline | CAS Registry Number: 570-24-1
Synonyms: 6-Nitro-o-toluidine, 2-Amino-3-nitrotoluene, 2-METHYL-6-NITROANILINE, Ambap5898, 6-Methyl-2-nitroaniline, 2-Methyl-6-nitro-benzenamine, Benzenamine, 2-methyl-6-nitro-, METHYLNITROBENZENAMINE, M59408_ALDRICH, 1-Amino-2-methyl-6-nitrobenzene, NSC 286, 45953_RIEDEL, NSC286, EINECS 209-329-6, NSC52218, ZINC03860618, LS-1393, Benzenamine, 2-methyl-6-nitro- (9CI), TL80073526, 60999-18-0

Molecular Formula: C7H8N2O2Molecular Weight: 152.150620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FCMRHMPITHLLLA-UHFFFAOYSA-N

• 2-Ethyl Phenyl Hydrazine Hydrochloride
IUPAC Name: (2-ethylphenyl)hydrazine | CAS Registry Number: 58711-02-7
Synonyms: (2-ethylphenyl)hydrazine, (2-Ethyl-phenyl)-hydrazine, Oprea1_325783, ZINC00154746, ALBB-005992, BBV-050819, CID2733210, 19398-06-2

Molecular Formula: C8H12N2Molecular Weight: 136.194280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: JHPOWXCLWLEKBY-UHFFFAOYSA-N

• 1-(2-Nitrophenyl)piperazine
IUPAC Name: 1-(2-nitrophenyl)piperazine | CAS Registry Number: 59084-06-9
Synonyms: Oprea1_325650, 1-(2-Nitro-phenyl)-piperazine, Piperazine, 1-(2-nitrophenyl)-, NSC33866, EINECS 261-593-1, CID100949, GL-0286, BAS 00253688, ST006450

Molecular Formula: C10H13N3O2Molecular Weight: 207.229120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: YJRCDSXLKPERNV-UHFFFAOYSA-N

• 4,4'-Bis(2-amino-benzenesulfonyl)bisphenol Ester
IUPAC Name: [4-[2-[4-(2-aminophenyl)sulfonyloxyphenyl]propan-2-yl]phenyl] 2-aminobenzenesulfonate | CAS Registry Number: 68015-60-1
Synonyms: EINECS 268-141-2, Isopropylidenedi-1,4-phenylene bis(2-aminobenzenesulphonate), (1-Methylethylidene)bis(4,1-phenylene) bis(2-aminobenzenesulfonate), Benzenesulfonic acid, 2-amino-, (1-methylethylidene)di-4,1-phenylene ester

Molecular Formula: C27H26N2O6S2Molecular Weight: 538.635140 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: XSHPYHIIELUPAR-UHFFFAOYSA-N

• 2-Bromo-5-methylthiophene
IUPAC Name: 2-bromo-5-methylthiophene | CAS Registry Number: 765-58-2
Synonyms: Thiophene, 2-bromo-5-methyl-, 515485_ALDRICH, CID69831, EINECS 212-151-1, ZINC00403354, TL8005238

Molecular Formula: C5H5BrSMolecular Weight: 177.062200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: ACDLOOGOFKSUPO-UHFFFAOYSA-N

• (S)-2-Tetrahydrofuroic acid
IUPAC Name: (2S)-oxolane-2-carboxylic acid | CAS Registry Number: 87392-07-2
Synonyms: (S)-(-)-2-Tetrahydrofuroic Acid, (S)-(-)-Tetrahydro-2-furoic acid, (2S)-oxolane-2-carboxylic acid, (S)-(-)-2-Carboxytetrahydrofuroic acid, (S)-tetrahydro-2-furoic acid, (S)-(-)-Tetrahydrofuran-2-carboxylic Acid, AG-H-52599, TFB, 2-Furancarboxylic acid, tetrahydro-, PubChem5795, SureCN239908, AC1L9JY0, AC1Q71BL, UNII-0I2B46K2SJ, (-)-Tetrahydro-2-furoic acid, (2S)-2-oxolanecarboxylic acid, 527890_ALDRICH, CTK3J6635, MolPort-001-792-498, Tetrahydro-2-furoic acid, (-)-

Molecular Formula: C5H8O3Molecular Weight: 116.115220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: UJJLJRQIPMGXEZ-BYPYZUCNSA-N

• 1,3-Dimethyluracil
IUPAC Name: 1,3-dimethylpyrimidine-2,4-dione | CAS Registry Number: 874-14-6
Synonyms: N,N'-Dimethyluracil, N1,N3-Dimethyluracil, Uracil, 1,3-dimethyl-, 349801_ALDRICH, Uracil, 1,3-dimethyl- (8CI), 2,4(1H,3H)-Pyrimidinedione, 1,3-dimethyl-, EINECS 212-856-4, NSC401858, SBB004164, ZINC00163290, 2,4-Dihydroxy-1,3-dimethylpyrimidine, NSC 401858, 1,3-dimethylpyrimidine-2,4(1H,3H)-dione, 1,3-Dimethyl-2,4(1H,3H)-pyrimidinedione, AB-323/25048172, InChI=1/C6H8N2O2/c1-7-4-3-5(9)8(2)6(7)10/h3-4H,1-2H

Molecular Formula: C6H8N2O2Molecular Weight: 140.139920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: JSDBKAHWADVXFU-UHFFFAOYSA-N

• 1-(2'-Chloro-5'-sulfophenyl)-3-methyl-5-pyrazolone
IUPAC Name: 4-chloro-3-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid | CAS Registry Number: 88-76-6
Synonyms: NSC4691, 556874_ALDRICH, CID66625, NSC26425, EINECS 201-858-0, NSC 26425, ST5410475, 1-(2-Chloro-5-sulfophenyl)-3-methyl-5-pyrazolone, 3-Methyl-1-(2-chloro-5-sulfophenyl)-5-pyrazolone, Benzenesulfonic acid, 4-chloro-3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, 1-(2-Chloro-5-sulfophenyl)-3-methyl-2-pyrazolin-5-one, 4-Chloro-3-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid, 4-Chloro-3-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzenesulphonic acid, Benzenesulfonic acid, 4-chloro-3-(3-methyl-5-oxo-2-pyrazolin-1-yl)-, Benzenesulfonic acid, 4-chloro-3-(3-methyl-5-oxo-2-pyrazolin-1-yl)- (8CI)

Molecular Formula: C10H9ClN2O4SMolecular Weight: 288.707460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: UWLNKHDLVZEYKQ-UHFFFAOYSA-N

• (S,S)-2-Azabicyclo[3,3,0]octane-3-carboxylic acid benzylester hydrochloride
IUPAC Name: benzyl (2S,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylate;hydrochloride | CAS Registry Number: 93779-29-4
Synonyms: (S,S)-2-Azabicyclo[3,3,0]-octane-3-carboxylic acid benzylester hydrochloride, (S,S)-2-Azabicyclo[3,3,0]-octane-3-carboxylic acid benzyl ester HCL, MolPort-003-983-932, AKOS016010451, RL05890, AK117081, (2S,6aS)-Benzyl octahydrocyclopenta[b]pyrrole-2-carboxylate hydrochloride

Molecular Formula: C15H20ClNO2Molecular Weight: 281.777800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: HLXCXOQXUDRJLF-JJARTYCRSA-N

• (S,S,S)-2-Azabicyclo[3,3,0]-octane-3-carboxylic acid benzylester hydrochloride
IUPAC Name: benzyl (2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylate | CAS Registry Number: 93779-31-8
Synonyms: (2S,3aS,6aS)-Benzyl octahydrocyclopenta[b]pyrrole-2-carboxylate, (S,S,S)-2-Azabicyclo[3,3,0]-octane-carboxylic acid benzylester hydrochloride, (S)-BENZYL ENDO, CIS-2-AZABICYCLO [3,3,0]OCTANECARBOXYLATE, PubChem5980, SureCN2001189, CYC086, CTK8B5013, ACT01825, ANW-47035, AKOS015998608, AB21138, RP17579, AK-76391, KB-206592, FT-0642251, BENZYL (1S,3S,5S)-2-AZABICYCLO[3.3.0]OCTANE-3-CARBOXYLATE, Cyclopenta[b]pyrrole-2-carboxylic acid, octahydro-, phenylmethyl ester, (2S,3aS,6aS)-, CYCLOPENTA[B]PYRROLE-2-CARBOXYLIC ACID, OCTAHYDRO-, PHENYLMETHYL ESTER, (2S,3AS,6AS)-

Molecular Formula: C15H19NO2Molecular Weight: 245.316860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KEDWLCOPRDSQBB-IHRRRGAJSA-N

• 2,6-Difluorobenzoic Acid
IUPAC Name: 2,6-difluorobenzoic acid | CAS Registry Number: 385-00-2
Synonyms: 2,6-DIFLUOROBENZOIC ACID, Benzoic acid, 2,6-difluoro-, 190039_ALDRICH, EINECS 206-856-3, CID9796, NSC126584, NSC 126584, BRN 0973774, AI3-63060, LS-36968, TL806244, ST5213952, Y16031, 3-09-00-01330 (Beilstein Handbook Reference), InChI=1/C7H4F2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11

Molecular Formula: C7H4F2O2Molecular Weight: 158.102266 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ONOTYLMNTZNAQZ-UHFFFAOYSA-N

• 1-Indanone
IUPAC Name: 2,3-dihydroinden-1-one | CAS Registry Number: 83-33-0
Synonyms: Hydrindone, INDANONE, alpha-Hydrindone, Indan-1-one, alpha-Indanone, Indacrinone, Indacrinic acid, 1-Indone, .alpha.-Indanone, Indanone (VAN), .alpha.-Hydrindone, Indenone, dihydro-, indanone, sodium salt, indanone, (R)-isomer, indanone, (S)-isomer, 1H-Inden-1-one, 2,3-dihydro-, 1-HYDRINDONE, 2,3-Dihydro-1H-inden-1-one, indanone, (+-)-isomer, I2304_ALDRICH

Molecular Formula: C9H8OMolecular Weight: 132.159220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: QNXSIUBBGPHDDE-UHFFFAOYSA-N

• 2-Indanone
IUPAC Name: 1,3-dihydroinden-2-one | CAS Registry Number: 615-13-4
Synonyms: 2-INDANONE, Indan-2-one, beta-Hydrindone, 1,3-Dihydro-2H-inden-2-one, 2INDANONE, 2H-Inden-2-one, 1,3-dihydro-, 146692_ALDRICH, CHEBI:27930, EINECS 210-410-3, CID11983, BRN 0636550, c0402, ZINC00897211, AI3-39163, LS-81313, C07727, TL80073601, 4-07-00-01002 (Beilstein Handbook Reference), T5573157, InChI=1/C9H8O/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4H,5-6H

Molecular Formula: C9H8OMolecular Weight: 132.159220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: UMJJFEIKYGFCAT-UHFFFAOYSA-N

• 2-Fluoro-4-hydroxybenzonitrile
IUPAC Name: 2-fluoro-4-hydroxybenzonitrile | CAS Registry Number: 82380-18-5
Synonyms: 417440_ALDRICH, ZINC00161696, KM 10855, InChI=1/C7H4FNO/c8-7-3-6(10)2-1-5(7)4-9/h1-3,10

Molecular Formula: C7H4FNOMolecular Weight: 137.111163 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: REIVHYDACHXPNH-UHFFFAOYSA-N

• 1-Benzyl-3-hydroxy-1H indazole
IUPAC Name: 1-(phenylmethyl)-2H-indazol-3-one | CAS Registry Number: 2215-63-6
Synonyms: CBMicro_007258, ChemDiv2_000492, 1-Benzyl-1H-indazol-3-ol, Oprea1_122894, Oprea1_591436, MLS001211149, 1H-Indazol-3-ol, 1-benzyl-, STOCK1S-86033, 1-Benzyl-1,2-dihydro-indazol-3-one, EINECS 218-680-4, EINECS 236-138-5, NSC247064, ZINC00238036, 1-Benzyl-1,2-dihydro-3H-indazol-3-one, BAS 01403806, SMR000516810, BIM-0007142.P001, ST5406772, 3H-Indazol-3-one, 1,2-dihydro-1-(phenylmethyl)-, 1-Benzyl-1,2-dihydro-3H-indazol-3-one, sodium salt

Molecular Formula: C14H12N2OMolecular Weight: 224.257880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: SXPJFDSMKWLOAB-UHFFFAOYSA-N

• 2,3-Dichloro-5,6-Dicyano-1,4-Benzoquinone
IUPAC Name: 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile | CAS Registry Number: 84-58-2
Synonyms: Dichlorodicyanoquinone, Dichlorodicyano-p-benzoquinone, Dichlorodicyanobenzoquinone, 2,3-Dichloro-5,6-dicyanoquinone, CCRIS 7154, D60400_ALDRICH, 1,2-Dichloro-4,5-dicyanobenzoquinone, 2,3-Dichloro-5,6-dicyanobenzoquinone, 2,3-Dicyano-5,6-dichlorobenzoquinone, 2,3,5,6-Dichlorodicyanoquinone, EINECS 201-542-2, 2,3-Dichloro-5,6-dicyano-p-quinone, AIDS218263, 2,3-Dichloro-5,6-dicyano-p-benzoquinone, NSC 401087, AIDS-218263, NSC401087, 5,6-Dichloro-2,3-dicyano-p-benzoquinone, 5,6-Dicyano-2,3-dichloro-p-benzoquinone, 1,4-CYCLOHEXADIENE-1,2-DICARBONITRILE, 4,5-DICHLORO-3,6-DIOXO-

Molecular Formula: C8Cl2N2O2Molecular Weight: 227.003800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: HZNVUJQVZSTENZ-UHFFFAOYSA-N

• 2-Hydroxy Pyrimidine HCL
IUPAC Name: 1H-pyrimidin-2-one hydrochloride | CAS Registry Number: 38353-09-2
Synonyms: Ambap3227, 2-Hydroxypyrimidine hydrochloride, 2-Pyrimidinol hydrochloride, 2-Pyrimidinone hydrochloride, H57408_ALDRICH, Pyrimidine-2-ol hydrochloride, 56430_FLUKA, Pyrimidin-2-one monohydrochloride, 2(1H)-Pyrimidinone hydrochloride, AIDS023052, AIDS-023052, EINECS 253-897-8, 2-Pyrimidinol, hydrochloride (8CI), NSC 56052, SBB004216, 2(1H)-Pyrimidinone, monohydrochloride, AI3-60177, TL8002805, 1450-92-6, 53412-83-2

Molecular Formula: C4H5ClN2OMolecular Weight: 132.548300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: IAJINJSFYTZPEJ-UHFFFAOYSA-N

• 1-(2-(2-Hydroxyethoxy)ethyl) Piperazine
IUPAC Name: 2-(2-piperazin-1-ylethoxy)ethanol | CAS Registry Number: 13349-82-1
Synonyms: 2-[2-(1-Piperazinyl)ethoxy]ethanol, 331260_ALDRICH, 1-(2-(2-Hydroxyethoxy)ethyl)piperazine, 2-(2-piperazin-1-ylethoxy)ethanol, ALBB-006029, 1-[2-(2-Hydroxyethoxy)ethyl]piperazine, CID139436, ST5405453, TL8000795

Molecular Formula: C8H18N2O2Molecular Weight: 174.240720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: FLNQAPQQAZVRDA-UHFFFAOYSA-N

• 1-Phenyl-1-Propanol
IUPAC Name: 1-phenylpropan-1-ol | CAS Registry Number: 93-54-9
Synonyms: Phenylpropanol, Gallenperlen, Phenycholon, 1-Phenyl-1-propanol, Epatoxfen, Felitrope, Phenychol, Phenylchol, Bilergon, Carbicol, Phenicol, Choleda, Felicur, Fenicol, Livonal, Unichol, Ejibil, Fepar, Phenylcholon, 1-Phenylpropanol

Molecular Formula: C9H12OMolecular Weight: 136.190980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: DYUQAZSOFZSPHD-UHFFFAOYSA-N

• 2-Acetylthianaphthene
IUPAC Name: 1-(1-benzothiophen-2-yl)ethanone | CAS Registry Number: 22720-75-8
Synonyms: 2-Acetylbenzothiophene, 2-Acetylbenzo[b]thiophene, 683477_ALDRICH, 1-(1-benzothien-2-yl)ethanone, 1-Benzo[b]thiophen-2-yl-ethanone, 1-Benzo(b)thien-2-ylethan-1-one, EINECS 245-177-7, ZINC02172307, ST5407223, TL8006903

Molecular Formula: C10H8OSMolecular Weight: 176.234920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: SGSGCQGCVKWRNM-UHFFFAOYSA-N

• 3-Nitropenylboronic Acid
IUPAC Name: (3-nitrophenyl)boronic acid | CAS Registry Number: 13331-27-6
Synonyms: 3-nitrophenylboronic acid, 3-Nitrobenzeneboronic acid, m-Nitrophenylboronic acid, m-Nitrobenzeneboronic acid, Benzeneboronic acid, m-nitro-, Ambap4631, WLN: WNR CBQQ, (3-nitrophenyl)boronic acid, Boronic acid, (3-nitrophenyl)-, 325104_ALDRICH, NSC 59739, BM115, ALBB-006120, NSC59739, BRN 2938638, NSC401539, AI3-60393, DB02797, NCGC00092010-01, LS-29188

Molecular Formula: C6H6BNO4Molecular Weight: 166.927140 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: ZNRGSYUVFVNSAW-UHFFFAOYSA-N

• 3-Methylbenzo[b]thiophene
IUPAC Name: 3-methyl-1-benzothiophene | CAS Registry Number: 1455-18-1
Synonyms: 3-Methylbenzothiophene, 3-Methylthioindene, 3-Methylthianaphthene, 3-Methylbenzylthiophene, 3-Methyl-1-thiaindene, Benzothiophene, 3-methyl-, 3-Methylbenzo(b)thiophene, 3-Methyl-1-benzothiophene, Benzo[b]thiophene, 3-methyl-, 638587_ALDRICH, EINECS 215-934-6, NSC267241, ZINC01081482, NSC 267241, ST5307782, Benzo(b)thiophene, 3-methyl- (8CI)(9CI)

Molecular Formula: C9H8SMolecular Weight: 148.224820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: SEBRPHZZSLCDRQ-UHFFFAOYSA-N

• 2-propyl-1H- imidazole-4,5-dicarboxy acid diethyl
IUPAC Name: diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate | CAS Registry Number: 144689-94-1
Synonyms: Diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate, 2-Propyl-1H-imidazole-4,5-dicarboxylic Acid Diethyl Ester, Diethyl 2-Propylimidazole-4,5-dicarboxylate, ST081233, 2-propyl-1H- imidazole-4,5-dicarboxy acid diethyl ester, DIETHYL-2-PROPYLIMIDAZOLE-4,5-DICARBOXYLATE, PubChem20746, ACMC-209ct8, SureCN1275935, KSC496K3F, CTK3J6532, MolPort-002-749-728, ACN-S004276, ANW-20874, STK665514, ZINC12411415, AKOS003406873, AC-3502, AG-B-62473, LS41209

Molecular Formula: C12H18N2O4Molecular Weight: 254.282320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: ZQPMIDPIXSMOAD-UHFFFAOYSA-N

• 2,4,5-Trifluoro-3-chlorobenzoic acid
IUPAC Name: 3-chloro-2,4,5-trifluorobenzoate | CAS Registry Number: 101513-77-3
Synonyms: ZINC02526219, CID7016347

Molecular Formula: C7HClF3O2-Molecular Weight: 209.529850 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: KBESHLYCSZINAJ-UHFFFAOYSA-M

• 1-Methylcyclopentene
IUPAC Name: 1-methylcyclopentene | CAS Registry Number: 693-89-0
Synonyms: 1-Methyl-1-cyclopentene, Cyclopentene, 1-methyl-, Methylcyclopentene, 1-METHYLCYCLOPENTENE, Cyclopentene, methyl-, M39806_ALDRICH, 66540_FLUKA, CID12746, NSC64657, EINECS 211-762-0, NSC 64657, Cyclopentene, 1-methyl- (8CI)(9CI), TL8004860, Naphthalenesulfonic acid, butyl-, ammonium salt, InChI=1/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H, 27476-50-2

Molecular Formula: C6H10Molecular Weight: 82.143600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: ATQUFXWBVZUTKO-UHFFFAOYSA-N

• 2′-O-Methylcytidine
IUPAC Name: 4-amino-1-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidin-2-one | CAS Registry Number: 2140-72-9
Synonyms: 2'-O-Methylcytidine, O-2-Methylcytidine, Cytidine, 2'-O-methyl-, M0259_SIGMA, AIDS338901, CID301382, NSC178026, I07-0058, 2(1H)-Pyrimidinone, 4-amino-1-(2-O-methyl-.beta.-D-arabinofuranosyl)-, 35819-07-9

Molecular Formula: C10H15N3O5Molecular Weight: 257.243200 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: RFCQJGFZUQFYRF-UHFFFAOYSA-N

• 1-Bromobutane
IUPAC Name: 1-bromobutane | CAS Registry Number: 109-65-9
Synonyms: Butyl bromide, Butane, 1-bromo-, n-Butylbromide, Bromobutane, N-BUTYL BROMIDE, 1-Butyl bromide, Butane, bromo-, sJPHAbIJuP@, 1-BROMO-BUTANE, CCRIS 831, HSDB 2195, 08953_FLUKA, 19681_FLUKA, B59497_SIAL, EINECS 203-691-9, UN1126, AI3-15308, LS-45622, TL8000306, 1-Bromobutane [UN1126] [Flammable liquid]

Molecular Formula: C4H9BrMolecular Weight: 137.018260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: MPPPKRYCTPRNTB-UHFFFAOYSA-N

• 2,4-Dichlorobenzotrifluoride
IUPAC Name: 1,4-dichloro-2-(trifluoromethyl)benzene | CAS Registry Number: 320-60-5
Synonyms: 2,5-Dichlorobenzotrifluoride, 246069_ALDRICH, NSC60712, EINECS 206-276-0, Benzene, 1,4-dichloro-2-(trifluoromethyl)-, CID35360, 1,4-Dichloro-2-(trifluoromethyl)benzene, LS-29823, ST5405472, 2,5-Dichloro-alpha,alpha,alpha-trifluorotoluene, Toluene, 2,5-dichloro-alpha,alpha,alpha-trifluoro- (6CI,7CI,8CI), 320-50-3

Molecular Formula: C7H3Cl2F3Molecular Weight: 214.999930 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: DYBYUWVMLBBEMA-UHFFFAOYSA-N

• 3-Hexyn-2-ol
IUPAC Name: hex-3-yn-2-ol | CAS Registry Number: 109-50-2
Synonyms: 3-HEXYN-2-OL, 669296_ALDRICH, EINECS 203-676-7, TL8002343

Molecular Formula: C6H10OMolecular Weight: 98.143000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: IFCAMPHNVKBSTF-UHFFFAOYSA-N

• (4R,6R)-t-Butyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate
IUPAC Name: tert-butyl 2-[(4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate | CAS Registry Number: 125971-94-0
Synonyms: 539015_ALDRICH, ZINC04284040, ST5405960, TL8000705, tert-Butyl (4R,3R)-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate, (4R,Cis)-1,1-dimethylethyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate

Molecular Formula: C14H23NO4Molecular Weight: 269.336720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: DPNRMEJBKMQHMC-GHMZBOCLSA-N

• 2,4-Difluoromandelic acid
IUPAC Name: 2-(2,4-difluorophenyl)-2-hydroxyacetic acid | CAS Registry Number: 132741-30-1
Synonyms: CID588651, (2,4-Difluorophenyl)(hydroxy)acetic acid, ST5408082, TL8005319, D1076

Molecular Formula: C8H6F2O3Molecular Weight: 188.128246 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: RRRQFGNNRJHLNV-UHFFFAOYSA-N


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