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Profile: Beijing Huikang Boyuan Chemical Tech Co., Ltd. specializes in providing active pharmaceutical ingredients, pharmaceutical intermediates, and synthesis material intermediates. Our active pharmaceutical ingredients include gemcitabine, clofarabine, ivabradine hydrochloride, droloxifene, amlexanox, dimebolin, anastrozole and benzocaine. Our intermediates include 4-vinyl-2,3-dihydrobenzofurane, 2,3-dihydrobenzofuran, 2-methyl-1-nitronaphthalene, 2,6-dimethyl hydroquinone and 1,3-dimethylbarbituric acid.

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• M-Nitrophenol

IUPAC Name: 3-nitrophenol | CAS Registry Number: 554-84-7
Synonyms: 3-Nitrophenol, M-NITROPHENOL, m-Hydroxynitrobenzene, Phenol, m-nitro-, Phenol, 3-nitro-, 3-Hydroxynitrobenzene, meta-Nitrophenol, m-Nitrofenol [Czech], WLN: WNR CQ, 1-Hydroxy-3-nitrobenzene, Crump leather-lasting dressing, CCRIS 2315, HSDB 1337, NSC 1551, 73552_FLUKA, CHEBI:34346, EINECS 209-073-5, NSC1551, UN1663, AIDS019392

Molecular Formula:	C₆H₅NO₃	Molecular Weight:	139.108800 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: RTZZCYNQPHTPPL-UHFFFAOYSA-N

• Manidipine

IUPAC Name: 3-O-[2-[4-[di(phenyl)methyl]piperazin-1-yl]ethyl] 5-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate | CAS Registry Number: 120092-68-4
Synonyms: manidipine, Franidipine, Manidipine 6300, Manidipine 6300 [INN], BB_SC-5084, C35H38N4O6, CV 4093, CV-4093, NCGC00167493-01, LS-130875, 2-(4-Diphenylmethyl-1-piperazinyl)ethyl methyl-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(4-(diphenylmethyl)-1-piperazinyl)ethyl methyl ester, 2-(4-(Diphenylmethyl)-1-piperazinyl)-ethyl methyl (- )-1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinecarboxylate, 89226-50-6, 89226-75-5

Molecular Formula:	C₃₅H₃₈N₄O₆	Molecular Weight:	610.699420 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	9

InChIKey: ANEBWFXPVPTEET-UHFFFAOYSA-N

• Melitracen Hydrochloride

IUPAC Name: 3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine hydrochloride | CAS Registry Number: 10563-70-9
Synonyms: Thymeol hydrochloride, Melitracene hydrochloride, MELITRACEN HYDROCHLORIDE, EINECS 234-150-5, C21H25N, Melitracen hydrochloride [USAN:JAN], NSC 78229, Melitracen hydrochloride (JAN/USAN), U-24973A, U-24,973A, LS-20367, N 7001, D01110, 3-(10,10-Dimethyl-9(10H)-anthrylidene)-N,N-dimethylpropylamine hydrochloride, 1-Propanamine, 3-(10,10-dimethyl-9(10H)-anthracenylidene)-N,N-dimethyl-, hydrochloride, 9-(3-Dimethylaminopropylidene)-10,10-dimethyl-9,10-dihydroanthracene hydrochloride, delta(sup 9(10H)),gamma-Anthracenepropylamine, N,N,10,10-tetramethyl-, hydrochloride, N,N,10,10-Tetramethyl-delta(sup 9(10H),gamma)-anthracenepropylamine hydrochloride, delta9(10H),gamma-Anthracenepropylamine, N,N,10,10-tetramethyl-, hydrochloride, delta9(10H),gamma-Anthracenepropylamine, N,N,10,10-tetramethyl-, hydrochloride (8CI)

Molecular Formula:	C₂₁H₂₆ClN	Molecular Weight:	327.890840 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: RADLXCPDUXFGFF-UHFFFAOYSA-N

• Melphalan

IUPAC Name: (2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid | CAS Registry Number: 148-82-3
Synonyms: melphalan, Alkeran, Levopholan, Sarcolysine, Sarkolysin, Levofalan, Levofolan, Medphalan, Melfalan, Mephalan, Merphalan, L-Sarcolysine, L-Sarcolysin, L-Sarkolysin, p-L-sarcolysine, p-L-Sarcolysin, Phenylalanine mustard, L-Phenylalanine mustard, Prestwick_1006, L-PAM

Molecular Formula:	C₁₃H₁₈Cl₂N₂O₂	Molecular Weight:	305.200220 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: SGDBTWWWUNNDEQ-LBPRGKRZSA-N

• Metaxalone

IUPAC Name: 5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one | CAS Registry Number: 1665-48-1
Synonyms: Methaxalonum, Methoxolone, Skelaxin, Metaxalon, Zorane, METAXALONE, Metazalone, Metazolone, Metaxalonum [Latin], Metassalone [DCIT], .meta.Xalone, .meta.Zalone, .meta.Zolone, .meta.Xalon, Metaxalona [Spanish], Skelaxin (TN), Metaxalonum [INN-Latin], Metaxalona [INN-Spanish], Spectrum_001741, SpecPlus_000656

Molecular Formula:	C₁₂H₁₅NO₃	Molecular Weight:	221.252400 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: IMWZZHHPURKASS-UHFFFAOYSA-N

• Methyl indole-3-carboxylate

IUPAC Name: methyl 1H-indole-3-carboxylate | CAS Registry Number: 942-24-5
Synonyms: 395307_ALDRICH, CID589098, SBB012373, ZINC00066126, BAS 00154547, Indole-3-carboxylic acid, methyl ester, SDCCGMLS-0065824.P001, 1H-Indole-3-carboxylic acid methyl ester, 1H-Indole-3-carboxylic acid, methyl ester, I-2505, InChI=1/C10H9NO2/c1-13-10(12)8-6-11-9-5-3-2-4-7(8)9/h2-6,11H,1H

Molecular Formula:	C₁₀H₉NO₂	Molecular Weight:	175.183960 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: QXAUTQFAWKKNLM-UHFFFAOYSA-N

• Milrinone

IUPAC Name: 6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile | CAS Registry Number: 78415-72-2
Synonyms: milrinone, Primacor, Milrinone lactate, Milrila, Milrinonum [Latin], Milrinona [Spanish], Milrila (TN), Ambap5086, Tocris-1504, Prestwick0_001065, Prestwick1_001065, Prestwick2_001065, Prestwick3_001065, Lopac-M-4659, Milrinone [USAN:BAN:INN], CCRIS 3795, Lopac0_000737, BSPBio_001050, Milrinone (JAN/USAN/INN), MLS000028818

Molecular Formula:	C₁₂H₉N₃O	Molecular Weight:	211.219360 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: PZRHRDRVRGEVNW-UHFFFAOYSA-N

• Milrinone Lactate

IUPAC Name: 2-hydroxypropanoic acid; 6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile | CAS Registry Number: 100286-97-3
Synonyms: Milrinone lactate, Primacor, Primacor (TN), CID172293, C13595, D02085, 1,6-Dihydro-2-methyl-6-oxo(3,4'-bipyridine)-5-carbonitrile, compd. with 2-hydroxypropionic acid, Propanoic acid, 2-hydroxy-, compd. with 1,6-dihydro-2-methyl-6-oxo(3,4'-bipyridine)-5-carbonitrile

Molecular Formula:	C₁₅H₁₅N₃O₄	Molecular Weight:	301.297300 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: VWUPWEAFIOQCGF-UHFFFAOYSA-N

• Moguisteine

IUPAC Name: ethyl 3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-3-oxopropanoate | CAS Registry Number: 119637-67-1
Synonyms: Moguisteine [INN], Moguisteinum [INN-Latin], Moguisteina [INN-Spanish], Oprea1_020741, C16H21NO5S, BBR-2173, BBR 2173, LS-151527, Ethyl (+-)-2-((o-methoxyphenoxy)methyl)-beta-oxo-3-thiazolidinepropionate, Ethyl 2-((2-methoxyphenoxy)methyl)-beta-oxo-3-thiazolidinepropanoate (+-)-, R,S(+-)-2-(2-Methoxyphenoxy)-methyl-3-ethoxycarbonylacetyl-1,3-thiazolidine, 2-(2-methoxyphenoxy)methyl-3-ethoxycarbonylacetyl-1,3-thiazolidine, 3-Thiazolidinepropanoic acid, 2-((2-methoxyphenoxy)methyl)-beta-oxo-, ethyl ester, (+-)-, ethyl 2-((2-methoxyphenoxy)methyl)-beta-oxothiazolidine-3-propanoate

Molecular Formula:	C₁₆H₂₁NO₅S	Molecular Weight:	339.406640 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: WSYVIAQNTFPTBI-UHFFFAOYSA-N

• Monensin Sodium Salt

IUPAC Name: (2R,3S,4R)-4-[(2R,5R,7S,8R,9S)-2-[(2R,5S)-5-ethyl-5-[(2S,3R,5S)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoic acid | CAS Registry Number: 22373-78-0
Synonyms: monensin, Elancoban, Monelan, Monensic acid, monensin A, Rumensin, Coban, Coban (as sodium salt), Monensinum [INN-Latin], Monensina [INN-Spanish], Rumensin (as sodium salt), Monensin Monosodium Salt, Lilly 673140, Monensin [USAN:BAN:INN], Monensin-A-Sodium Complex, HSDB 7031, ATCC 15413, EINECS 241-154-0, A 3823A, C36H62O11

Molecular Formula:	C₃₆H₆₂O₁₁	Molecular Weight:	670.870880 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	11

InChIKey: GAOZTHIDHYLHMS-GDMSFIFLSA-N

• Moxidectin

Synonyms: Moxidectin (USAN/INN), CID9832912, D05084

Molecular Formula:	C₃₇H₅₃NO₈	Molecular Weight:	639.818620 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	9

InChIKey: YZBLFMPOMVTDJY-LSGXYNIPSA-N

• N,N'-Diacetylglycine Anhydride

IUPAC Name: 1,4-diacetylpiperazine-2,5-dione | CAS Registry Number: 3027-05-2
Synonyms: 1,4-Diacetyl-2,5-piperazinedione, CBBKKVPJPRZOCM-UHFFFAOYSA-, MolPort-002-473-611, ZINC00167547, 1,4-Diacetyl-2,5-dioxopiperazine, 1,4-diacetylpiperazine-2,5-dione, 1,4-Diacetyl-2,5-diketopiperazine, CID540371, D1073, 12B-033, InChI=1/C8H10N2O4/c1-5(11)9-3-8(14)10(6(2)12)4-7(9)13/h3-4H2,1-2H3

Molecular Formula:	C₈H₁₀N₂O₄	Molecular Weight:	198.176000 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: CBBKKVPJPRZOCM-UHFFFAOYSA-N

• N-(Triphenylmethyl)-5-(4'-bromomethylbiphenyl-2-yl-)tetrazole

IUPAC Name: 5-[2-[4-(bromomethyl)phenyl]phenyl]-1-trityltetrazole | CAS Registry Number: 124750-51-2
Synonyms: 5-(4'-Bromomethyl-1,1'-biphenyl-2-yl)-1-triphenylmethyl-1H-tetrazole, AG-D-52603, 5-(4'-Bromomethyl-biphenyl-2-yl)-1-, N-(Triphenylmethyl)-5-(4-bromomethylbiphenyl-2-yl)tetrazole, 5-(4'-(Bromomethyl)-[1,1'-biphenyl]-2-yl)-1-trityl-1H-tetrazole, trityl-1H-tetrazole, PubChem9042, SureCN796, ACMC-209zjl, Jsp001625, CTK0H4638, MolPort-003-845-381, ACT01841, ANW-50335, AKOS000278516, AC-1836, AM90281, CL23639, RP17783, AK-23923

Molecular Formula:	C₃₃H₂₅BrN₄	Molecular Weight:	557.482400 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: ZTFVTXDWDFIQEU-UHFFFAOYSA-N

• N-Isopropyl-N-Methyl-5-Methoxytryptamine Hydrochloride

IUPAC Name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-methylpropan-2-amine;hydrochloride | CAS Registry Number: 96096-54-7
Synonyms: 5-MeO-MiPT HCl, UNII-7B59C2P2MN, N-Isopropyl-N-methyl-5-methoxytryptamine hydrochloride, 7B59C2P2MN, I-7977, MFCD07437975, 5-methoxy-N,N-methylisopropyltryptamine HCl, 5-Methoxy-N-isopropyl-N-methyltryptamine hydrochloride, 5-Methoxy-N-methyl-N-isopropyltryptamine hydrochloride, N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]-N-methyl-2-propanamine HCl, 1H-Indole-3-ethanamine, 5-methoxy-N-methyl-N-(1-methylethyl)-, hydrochloride (1:1), 1H-Indole-3-ethanamine, 5-methoxy-N-methyl-N-(1-methylethyl)-, monohydrochloride

Molecular Formula:	C₁₅H₂₃ClN₂O	Molecular Weight:	282.812 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: PPKTWYRQDCECMV-UHFFFAOYSA-N

• O-Phospho-L-Serine

IUPAC Name: 2-amino-3-phosphonooxypropanoic acid | CAS Registry Number: 17885-08-4
Synonyms: phosphoserine, serine phosphate, Energoserina, o-Phosphonoserine, Serophen, phosphorylserine, seryl phosphate, 3-phosphoserine, dl-O-Phosphoserine, P-serine, DL-Phosphoserine, O-phospho-L-serine, 3-phospho-serine, P-ser, serine-3-p, O-Phospho-DL-serine, serine-3-phosphate, 3-P-serine, O-phospho-D-serine, DL-SOP

Molecular Formula:	C₃H₈NO₆P	Molecular Weight:	185.072481 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	7

InChIKey: BZQFBWGGLXLEPQ-UHFFFAOYSA-N

• Oxybutynine HCL

IUPAC Name: 4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate hydrochloride | CAS Registry Number: 1508-65-2
Synonyms: Oxybutynin chloride, Ditropan, Dridase, Tropax, Ditropan Xl, Oxybutynin hydrochloride, Ditropan (TN), Prestwick_621, Oxibutinina hydrochloride, Oxybutynin chloride [USAN], Oxybutynin chloride (USP), C22H31NO3.HCl, MLS000069688, MLS001148211, O2881_SIAL, O5015_SIAL, Oxybutynin hydrochloride (JAN), EINECS 216-139-7, MJ 4309-1, NCGC00094234-01

Molecular Formula:	C₂₂H₃₂ClNO₃	Molecular Weight:	393.947380 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: SWIJYDAEGSIQPZ-UHFFFAOYSA-N

• Pemetrexed Disodium

IUPAC Name: (2S)-2-[[4-[2-[2-amino-4-oxo-7-(phenylmethyl)-1H-pyrrolo[2,3-d]pyrimidin-5-yl]ethyl]benzoyl]amino]pentanedioic acid | CAS Registry Number: 150399-23-8
Synonyms: AIDS096718, AIDS-096718, NCGC00164627-01, LY231514, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrimidin-5-yl)ethyl]benzoyl]-glutamic acid

Molecular Formula:	C₂₇H₂₇N₅O₆	Molecular Weight:	517.533180 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	9

InChIKey: RXMOUCBSRHJOCG-FQEVSTJZSA-N

• Pentabromophenol

IUPAC Name: 2,3,4,5,6-pentabromophenol | CAS Registry Number: 608-71-9
Synonyms: PENTABROMOPHENOL, Flammex 5BP, Phenol, pentabromo-, Pentabromfenol [Czech], 1e4h, 2,3,4,5,6-Pentabromophenol, CCRIS 4853, P1608_ALDRICH, HSDB 5500, MLS002152927, NSC 5717, EINECS 210-167-3, NSC5717, WLN: QR BE CE DE EE FE, BRN 1876757, ZINC01687157, AI3-01561, DB03167, LS-1448, NCGC00090884-01

Molecular Formula:	C₆HBr₅O	Molecular Weight:	488.591540 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: SVHOVVJFOWGYJO-UHFFFAOYSA-N

• Pharmaceutic Intermediates

• Piperazine, 1-[5-(trifluoromethyl)-2-pyridinyl]-

IUPAC Name: 1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-4-ium | CAS Registry Number: 132834-58-3
Synonyms: ZINC00012101, CID6919125

Molecular Formula:	C₁₀H₁₄F₃N₃+₂	Molecular Weight:	233.233470 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: BNMSJUIMZULLAS-UHFFFAOYSA-P

• Pipradrol hydrochloride

IUPAC Name: diphenyl(piperidin-2-yl)methanol hydrochloride | CAS Registry Number: 71-78-3
Synonyms: Leptidrol, Meratonic, Gerodil, Gerodyl, Luxidin, Pipral, Meratran, Pipradrol HCl, Pipradol hydrochloride, Pipradole hydrochloride, piperadrol hydrochloride, C18H21NO.HCl, Pipradrol hydrochloride (JAN), Pipradrol hydrochloride [JAN], EINECS 200-764-7, MolPort-003-889-426, CID66008, alpha-(2-Piperidyl)benzhydrol hydrochloride, Benzhydrol, alpha-(2-piperidyl)-, hydrochloride, LS-115609

Molecular Formula:	C₁₈H₂₂ClNO	Molecular Weight:	303.826380 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	2

InChIKey: KIFIYUHFHGSNHL-UHFFFAOYSA-N

• Piracetam

IUPAC Name: 2-(2-oxopyrrolidin-1-yl)acetamide | CAS Registry Number: 7491-74-9
Synonyms: piracetam, Ciclofalina, Nootropil, Nootropyl, Pyracetam, Gabacet, Pyramem, Normabrain, Genogris, Pirazetam, Pirroxil, Euvifor, Nootron, Cerebroforte, Piracebral, Piracetrop, Avigilen, Cuxabrain, Sinapsan, Dinagen

Molecular Formula:	C₆H₁₀N₂O₂	Molecular Weight:	142.155800 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: GMZVRMREEHBGGF-UHFFFAOYSA-N

• Pitavastatin

IUPAC Name: (E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid | CAS Registry Number: 147511-69-1
Synonyms: Pitavastatin [INN], NK 104, NCGC00164566-01, NCGC00164566-02, LS-187750, ( )-(3R,5S,6E)-7-(2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolyl)-3,5-dihydroxy-6-heptenoic acid, (3R,5S,6E)-7-(2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoic acid, 6-Heptenoic acid, 7-(2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl)-3,5-dihydroxy-, (3R,5S,6E)-, 6-Heptenoic acid, 7-(2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl)-3,5-dihydroxy-, (S-(R*,S*-(E)))-

Molecular Formula:	C₂₅H₂₄FNO₄	Molecular Weight:	421.460763 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: VGYFMXBACGZSIL-VAWYXSNFSA-N

• Posaconazole

IUPAC Name: 4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one | CAS Registry Number: 171228-49-2
Synonyms: Spriafil, Noxafil, Posaconazole SP, Sch 56592, SCH-56592, AIDS058495, AIDS-058495, SCH56592, 1-((1S,2S)-1-Ethyl-2-hydroxypropyl)-4-{4-[4-(4-{[(5S,3R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazolylmethyl)oxolan-3-yl]methoxy}phenyl)piperazinyl]phenyl}-1,2,4-triazolin-5-one, PCZ, POS

Molecular Formula:	C₃₇H₄₂F₂N₈O₄	Molecular Weight:	700.777386 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	12

InChIKey: RAGOYPUPXAKGKH-XAKZXMRKSA-N

• Prulifloxacin

IUPAC Name: (1R)-6-fluoro-1-methyl-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid | CAS Registry Number: 123447-62-1
Synonyms: Sword, PUFX, Sword (TN), Prulifloxacin (JAN/INN), CID443877, TL8000628, D01144

Molecular Formula:	C₂₁H₂₀FN₃O₆S	Molecular Weight:	461.463403 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	10

InChIKey: PWNMXPDKBYZCOO-LLVKDONJSA-N

• Pyrazoxyfen

IUPAC Name: 2-[4-(2,4-dichlorobenzoyl)-2,5-dimethylpyrazol-3-yl]oxy-1-phenylethanone | CAS Registry Number: 71561-11-0
Synonyms: Paicer, Pyrazoxyfen [ISO:BSI], Pyrazoxyfen [ISO:BSI], SL 49, LS-67321, 2-(4-(2,4-Dichlorobenzoyl)-1,3-dimethylpyrazol-5-yloxy)acetophenone, 2-((4-(2,4-Dichlorobenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl)oxy)-1-phenylethanone, Ethanone, 2-((4-(2,4-dichlorobenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl)oxy)-1-phenyl-

Molecular Formula:	C₂₀H₁₆Cl₂N₂O₃	Molecular Weight:	403.258640 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: FKERUJTUOYLBKB-UHFFFAOYSA-N

• Pyridine-2-Sulfonic Acid

IUPAC Name: pyridine-2-sulfonic acid | CAS Registry Number: 15103-48-7
Synonyms: 2-Pyridinesulfonic acid, alpha-Pyridinesulfonic acid, .alpha.-Pyridinesulfonic acid, 661759_ALDRICH, NSC5081, NSC 5081, 2-Pyridinesulfonic acid (8CI)(9CI)

Molecular Formula:	C₅H₅NO₃S	Molecular Weight:	159.163100 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: KZVLNAGYSAKYMG-UHFFFAOYSA-N

• Sitagliptin

IUPAC Name: (3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one; phosphoric acid | CAS Registry Number: 790712-60-6
Synonyms: Sitagliptan, Januvia, Sitagliptin phosphate, MK 0431, MK-0431, MK0431, LS-186669, (2R)-4-Oxo-4-(3-(trifluoromethyl)-5,6-dihydro(1,2,4)triazolo(4,3-a)pyrazin-7(8H)-yl)-1-(2,4,5-trifluorophenyl)butan-2-amine phosphate salt, 4-oxo-4-(3-(trifluoromethyl)-5,6-dihydro(1,2,4)triazolo(4,3-a)pyrazin-7(8H)-yl)-1-(2,4,5-trifluorophenyl)butan-2-amine phosphate, 654671-78-0

Molecular Formula:	C₁₆H₁₈F₆N₅O₅P	Molecular Weight:	505.308800 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	15

InChIKey: IQFYVLUXQXSJJN-SBSPUUFOSA-N

• Sitagliptin Base

IUPAC Name: (3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one | CAS Registry Number: 486460-32-6
Synonyms: Sitagliptin, Sitagliptan, Sitagliptin phosphate, Januvia (merck & Co.), BSPBio_002262, CHEBI:40237, 1x70, MK-0431, CID4369359, DB01261, LS-187389, (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE, (3R)-3-amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)butan-1-one, (3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one

Molecular Formula:	C₁₆H₁₅F₆N₅O	Molecular Weight:	407.313619 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	10

InChIKey: MFFMDFFZMYYVKS-SECBINFHSA-N

• Sitagliptin Phosphate

IUPAC Name: (3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one; phosphoric acid; hydrate | CAS Registry Number: 654671-77-9
Synonyms: Januvia, Glactiv, Tesavel, Xelevia, Januvia (TN), Sitagliptin phosphate, Sitagliptin phosphate hydrate, Sitagliptin phosphate monohydrate, Sitagliptin phosphate (USAN), ONO-5435, Sitagliptin phosphate hydrate (JAN), MK-431, MK-0431, D06645

Molecular Formula:	C₁₆H₂₀F₆N₅O₆P	Molecular Weight:	523.324080 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	16

InChIKey: GQPYTJVDPQTBQC-KLQYNRQASA-N

• Sodium Cyclopentadienide

IUPAC Name: sodium cyclopenta-1,3-diene | CAS Registry Number: 4984-82-1
Synonyms: Sodium cyclopentadienylide, Cyclopentadienylsodium solution, Sodium, 2,4-cyclopentadienide, 304026_ALDRICH, Cyclopenta-2,4-dien-1-ylsodium, EINECS 225-636-8, Sodium, 2,4-cyclopentadien-1-yl-, 152846-23-6, 223905-48-4, 27081-05-6, 28260-50-6, 36683-96-2, 38785-12-5, 38841-18-8, 63936-05-0, 73500-89-7

Molecular Formula:	C₅H₅Na	Molecular Weight:	88.082970 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: OHUVHDUNQKJDKW-UHFFFAOYSA-N

• Sodium Valproate

IUPAC Name: sodium 2-propylpentanoate | CAS Registry Number: 1069-66-5
Synonyms: Sodium valproate, Valproate sodium, Depakene, Epilim, Convulex, Eurekene, Labazene, Orfiril, Valerin, Natrium valproat, Selenica, Sodium 2-propylpentanoate, Valproic acid sodium salt, Dipropylacetate sodium, Sodium dipropylacetate, Depakene (TN), Selenica (TN), Sodium bispropylacetate, Valproic acid sodium, Valproinsaeure, natrium

Molecular Formula:	C₈H₁₅NaO₂	Molecular Weight:	166.193270 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: AEQFSUDEHCCHBT-UHFFFAOYSA-M

• Solifenacin Succinate

IUPAC Name: 1-azabicyclo[2.2.2]octan-8-yl (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate; butanedioic acid | CAS Registry Number: 242478-38-2
Synonyms: Vesicare, Solifenacin succinate, Vesicare (TN), CID443937, Solifenacin succinate (JAN/USAN/INN), D01269

Molecular Formula:	C₂₇H₃₂N₂O₆	Molecular Weight:	480.552780 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: RXZMMZZRUPYENV-DZSUWJOWSA-N

• Sumatriptan

IUPAC Name: 1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methylmethanesulfonamide | CAS Registry Number: 103628-46-2
Synonyms: sumatriptan, Sumatran, Imitrex, Sumax, Imigran, Sumatriptanum, Imigran (TN), Imitrex (TN), Sumatriptanum [INN-Latin], SUMATRIPTAN SUCCINATE, BSPBio_002304, MLS001195659, MLS001304742, SPECTRUM1505372, Sumatriptan (JAN/USP/INN), CID5358, C14H21N3O2S, CHEBI:10650, GR 43175X, NP101

Molecular Formula:	C₁₄H₂₁N₃O₂S	Molecular Weight:	295.400440 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: KQKPFRSPSRPDEB-UHFFFAOYSA-N

• Tacrolimus Hydrate

Synonyms: tacrolimus, Protopic, Prograf, Tacrolimus hydrate, Protopic (TN), Prograf (TN), FK-506 monohydrate, Tacrolimus (USAN/INN), Tacrolimus hydrate (JAN), F4679_SIGMA, D00107

Molecular Formula:	C₄₄H₇₁NO₁₃	Molecular Weight:	822.033440 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	13

InChIKey: NWJQLQGQZSIBAF-MLAUYUEBSA-N

• Tamulosin Hydrochloride

IUPAC Name: 5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide hydrochloride | CAS Registry Number: 106463-17-6
Synonyms: Flomax, Urolosin, Secotex, Pradif, Josir, Omnic, Alna, Omic, Omix, Expros, Harnal, Amsulosin hydrochloride, Flomax MR, AlnaOCAS, Flomax (TN), Harnal (TN), TAMSULOSIN HYDROCHLORIDE, Ambap2529, C20H28N2O5S.HCl, YM617

Molecular Formula:	C₂₀H₂₉ClN₂O₅S	Molecular Weight:	444.972660 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	7

InChIKey: ZZIZZTHXZRDOFM-XFULWGLBSA-N

• Telmisartan

IUPAC Name: 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid | CAS Registry Number: 144701-48-4
Synonyms: Micardis, Kinzalmono, Pritor, Micardis HCT, Micardis (TN), Telmisartan [INN], BIBR 277SE, BIBR 277, Spectrum2_001976, Spectrum3_001089, Spectrum4_001261, Spectrum5_001053, Telmisartan [USAN:INN], BIBR-277, BSPBio_002738, KBioGR_001842, MLS000759432, MLS001076687, BIBR-277-SE, SPECTRUM1505261

Molecular Formula:	C₃₃H₃₀N₄O₂	Molecular Weight:	514.616900 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: RMMXLENWKUUMAY-UHFFFAOYSA-N

• Temocapril

IUPAC Name: 2-[(2S)-6-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid | CAS Registry Number: 111902-57-9
Synonyms: temocapril hydrochloride, Temocaprilum [INN-Latin], CID71323, NCGC00181345-01, LS-187255, (2S-(2alpha,6beta(R*)))-6-((1-(Ethoxycarbonyl)-3-phenylpropyl)amino)tetrahydro-5-oxo-2-(2-thienyl)-1,4-thiazepine-4(5H)-acetic acid, 1,4-Thiazepine-4(5H)-acetic acid, 6-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)tetrahydro-5-oxo-2-(2-thienyl)-, (2S-(2alpha,6beta(R*)))-

Molecular Formula:	C₂₃H₂₈N₂O₅S₂	Molecular Weight:	476.608820 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: FIQOFIRCTOWDOW-DXCJPMOASA-N

• Temocapril Hydrochloride

IUPAC Name: 2-[(2S,6R)-6-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid hydrochloride | CAS Registry Number: 110221-44-8
Synonyms: Acecol, temocapril hydrochloride, Acecol (TN), CS-622, Temocapril hydrochloride (JAN/USAN), RS-5142, TL8000319, D01119

Molecular Formula:	C₂₃H₂₉ClN₂O₅S₂	Molecular Weight:	513.069760 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: XDDQNOKKZKHBIX-ASBZXGSUSA-N

• Temozolomide

IUPAC Name: 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide | CAS Registry Number: 85622-93-1
Synonyms: temozolomide, Methazolastone, Temodal, Temodar, Temozolamide, Temozolomidum [Latin], Temozolodida [Spanish], Temodal (TN), Temozolomide [BAN:INN], Temozolomide [INN:BAN], Essex brand of temozolomide, CCRG 81045, CCRG-81045, Sch 52365, MLS000759447, MLS001424028, Schering brand of temozolomide, C6H6N6O2, CCRIS 8996, Temozolomide (JAN/USAN/INN)

Molecular Formula:	C₆H₆N₆O₂	Molecular Weight:	194.150840 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: BPEGJWRSRHCHSN-UHFFFAOYSA-N

• Temsirolimus

Synonyms: Cci 779, WAY-CCI 779, CCI-779, Rapamycin, 42-(3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate), 343261-52-9

Molecular Formula:	C₅₆H₈₇NO₁₆	Molecular Weight:	1030.287080 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	16

InChIKey: CBPNZQVSJQDFBE-WEDGMEQVSA-N

• Terranas

IUPAC Name: 1-[bis(4-fluorophenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine dihydrochloride | CAS Registry Number: 101477-54-7
Synonyms: lomerizine, Migsis, Lomerizine hydrochloride, Terranas (TN), Lomerizine dihydrochloride, Lomerizine hydrochloride (JAN), C27H30F2N2O3.2HCl, KB 2796, KB-2796, DE-090, LS-110465, D02633, 1-(2,3,4-Trimethoxybenzyl)-4-(bis(4-fluorophenyl)methyl)piperazine dihydrochloride, 1-(Bis(4-fluorophenyl)methyl)-4-((2,3,4-trimethoxyphenyl)methyl)piperazine dihydrochloride, Piperazine, 1-(bis(4-fluorophenyl)methyl)-4-((2,3,4-trimethoxyphenyl)methyl)-, dihydrochloride, 1-(bis(4-fluorophenyl)methyl)-4-(2,3,4-trimethoxybenzyl)piperazine dihydrochloride

Molecular Formula:	C₂₇H₃₂Cl₂F₂N₂O₃	Molecular Weight:	541.457386 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: LOGVKVSFYBBUAJ-UHFFFAOYSA-N

• Ticlatone

IUPAC Name: 6-chloro-1,2-benzothiazol-3-one | CAS Registry Number: 70-10-0
Synonyms: Landromil, TICLATONE, Ticlatone [USAN:INN], Ticlatonum [INN-Latin], Ticlatona [INN-Spanish], Ticlatone (USAN/INN), Fer 1443, 6-Chloro-1,2-benzisothiazolone, FER-1443, 6-Chloro-1,2-benzisothiazolin-3-one, 1,2-Benzisothiazolin-3-one, 6-chloro-, 1,2-Benzisothiazol-3(2H)-one, 6-chloro-, LS-33592, D06139

Molecular Formula:	C₇H₄ClNOS	Molecular Weight:	185.630760 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: POPOYOKQQAEISW-UHFFFAOYSA-N

• Timegadine

IUPAC Name: 2-cyclohexyl-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine | CAS Registry Number: 71079-19-1
Synonyms: Timegadina, Timegadinum, Timegadine [INN], Timegadinum [INN-Latin], Timegadina [INN-Spanish], C20H23N5S, EINECS 275-184-0, CHEBI:121295, CID68902, BRN 5619706, SR-1368, LS-73516, 1-Cyclohexyl-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)guanidine, Guanidine, 1-cyclohexyl-2-(2-methyl-4-quinolyl)-3-(2-thiazolyl)-, Guanidine, N-cyclohexyl-N'-(2-methyl-4-quinolinyl)-N''-2-thiazolyl-, N-Cyclohexyl-N'-(2-methyl-4-quinolinyl)-N''-2-thiazolylguanidine, N-Cyclohexyl-N'-(2-methyl-quinolin-4-yl)-N''-thiazol-2-yl-guanidine

Molecular Formula:	C₂₀H₂₃N₅S	Molecular Weight:	365.495120 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: SQVNITZYWXMWOG-UHFFFAOYSA-N

• Tipepidine Hibenzate

IUPAC Name: 3-[di(thiophen-2-yl)methylidene]-1-methylpiperidine; 2-(4-hydroxybenzoyl)benzoic acid | CAS Registry Number: 31139-87-4
Synonyms: Asverin, tipepidine hibenzate, Asverin (TN), Tipepidine hibenzate (JP15), D01495

Molecular Formula:	C₂₉H₂₇NO₄S₂	Molecular Weight:	517.658980 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: KEEAAKGKVVTPOM-UHFFFAOYSA-N

• Trans-2-(2-nitrovinyl)thiophene

IUPAC Name: 2-[(E)-2-nitroethenyl]thiophene | CAS Registry Number: 34312-77-1
Synonyms: 2-(2-Nitrovinyl)thiophene, (E)-2-(2-Nitroethenyl)thiophene, 2-Thienylnitroethylene, 2-[(E)-2-nitroethenyl]thiophene, 2-(2-Nitroethenyl)thiophene, trans-2-(2-nitrovinyl)thiophene, 2-NITROVINYLTHIOPHENE, 1-(2-Thienyl)-2-nitroethene, Thiophene, 2-(2-nitrovinyl)-, 2-[(E)-2-Nitrovinyl]thiophene, 874-84-0, 2-((1E)-2-nitrovinyl)thiophene, EINECS 212-867-4, NSC 22059, (E)-2-(2-NITROVINYL)THIOPHENE, AB-337/25021025, 2-[(E)-2-nitro-vinyl]-thiophene, 2-((E)-2-Nitro-vinyl)-thiophene, AG-F-16680, NSC22059

Molecular Formula:	C₆H₅NO₂S	Molecular Weight:	155.174400 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: UTPOWFFIBWOQRK-ONEGZZNKSA-N

• Trans-2-Pentenoic Acid

IUPAC Name: (E)-pent-2-enoic acid | CAS Registry Number: 13991-37-2
Synonyms: Amicetose, 2-PENTENOIC ACID, trans-2-Pentenoic acid, Pentenoic acid, Pent-2-enoic acid, C2H5CH=CHCOOH, beta-ethyl acrylic acid, (E)-2-pentenoic acid, (2E)-pent-2-enoic acid, 2-Pentenoic acid, (E)-, (2E)-2-Pentenoic acid, 2-pentenoic acid, (2E)-, 2-Pentenoic acid, trans-, (E)-Pent-2-en-1-oic acid, 259276_ALDRICH, trans-Alpha,beta-penteneoic acid, CHEBI:35939, CHEBI:38366, EINECS 210-975-6, AKE-BBR-008929

Molecular Formula:	C₅H₈O₂	Molecular Weight:	100.115820 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: YIYBQIKDCADOSF-ONEGZZNKSA-N

• Trityl Valsartan

IUPAC Name: (2S)-3-methyl-2-[pentanoyl-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid | CAS Registry Number: 195435-23-5
Synonyms: Triphenylvalsartan, Triphenyl valsartan, SCHEMBL2930427, HQCWKLWGCQAUOU-FAIXQHPJSA-N, MolPort-023-220-206, AKOS024462383, AK162988, ST24050304, (S)-3-methyl-2-(N-((2'-(2-trityl-2H-tetrazol-5-yl)biphenyl-4-yl)methyl)pentanamido)butanoic acid

Molecular Formula:	C₄₃H₄₃N₅O₃	Molecular Weight:	677.833220 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: HQCWKLWGCQAUOU-FAIXQHPJSA-N

• Tropisetron

IUPAC Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate | CAS Registry Number: 89565-68-4
Synonyms: tropisetron, Navoban, Novaban, Navoban (TN), Tropisetron (INN), Lopac-T-104, STOCK1N-71105, PDSP1_000776, PDSP2_000764, ICS-205930, NCGC00015984-01, NCGC00161414-01, C13666, D02130, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-indole-3-carboxylate

Molecular Formula:	C₁₇H₂₀N₂O₂	Molecular Weight:	284.352900 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: ZNRGQMMCGHDTEI-FUNVUKJBSA-N

• Tropisetron hydrochloride

IUPAC Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate hydrochloride | CAS Registry Number: 105826-92-4
Synonyms: Navoban, TROPISETRON HCl, Navoban (TN), MLS001401385, Tropisetron hydrochloride (JAN), CPD000469156, SAM001246576, SMR000469156, TL8000219, D02041

Molecular Formula:	C₁₇H₂₁ClN₂O₂	Molecular Weight:	320.813840 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: XIEGSJAEZIGKSA-KOQCZNHOSA-N