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Profile: Ontario Chemicals, Inc. is a global special chemical supplier. We offer purity fine chemicals for a broad range of applications. We provide pharmaceutical intermediates, active pharmaceutical ingredients (API) and other special chemicals to researchers in global universities, research institutes, pharmaceutical manufacturers & other related customers. We supply products to our clients from milligrams, grams, kilograms to bulky scales. We supply chiral pyrrolidine derivatives, chiral piperidine derivatives and chiral amino acid derivatives. Our other core products include API, indole derivatives, organoboron acids derivatives, triazole & tetrazole derivatives and UV absorbers. Our products include abacavir, abscisic acid, aceclofenac, acemetacin, 3-acetamido-2-methylphenol, 3-acetamido-5-nitrobenzoic acid, 2-acetamidophenylboronic acid, acetildenafil, acetobromofucose, 4-acetoxy-2-azetidinone and 1-(acetoxy)pyrrolidine-2,5-dione.

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• Abacavir

IUPAC Name: [(4S)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopenten-1-yl]methanol;sulfuric acid | CAS Registry Number: 136777-48-5
Synonyms: AKOS015962201, FT-0606626

Molecular Formula:	C₂₈H₃₈N₁₂O₆S	Molecular Weight:	670.743120 [g/mol]
H-Bond Donor:	8	H-Bond Acceptor:	16

InChIKey: ONBGCFRRXHDVAP-RCWTXCDDSA-N

• Abscisic Acid

IUPAC Name: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid | CAS Registry Number: 21293-29-8
Synonyms: Abscisin II, ABSCISIC ACID, Abscisate, Dormin, Dormin (VAN), (+)-Abscisic acid, ()-Abscisic acid, (S)-(+)-Abscisic acid, Ambap5078, Acide abscisique [French], Dormin (abscission factor), 2-cis,4-trans-Abscisic acid, cis-trans-(+)-Abscissic acid, A4906_SIGMA, CHEBI:2365, EINECS 244-319-5, NSC 146877, NSC 148832, BRN 2698956, SMP2_000105

Molecular Formula:	C₁₅H₂₀O₄	Molecular Weight:	264.316900 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: JLIDBLDQVAYHNE-YKALOCIXSA-N

• Aceclofenac

IUPAC Name: 2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyacetic acid | CAS Registry Number: 89796-99-6
Synonyms: 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, BRN 4884476

Molecular Formula:	C₁₆H₁₃Cl₂NO₄	Molecular Weight:	354.184720 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: MNIPYSSQXLZQLJ-UHFFFAOYSA-N

• Acemetacin

IUPAC Name: 2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyacetic acid | CAS Registry Number: 53164-05-9
Synonyms: acemetacin, Rantudil, Acemetacinum, Aximeixin, Rheumibis, Acemix, Rantodil, Emflex, Rantudil (TN), Prestwick_669, Spectrum_000428, Acemetacine [INN-French], Acemetacinum [INN-Latin], Acemetacin (JAN/INN), Acemetacina [INN-Spanish], Prestwick0_000296, Prestwick1_000296, Prestwick2_000296, Prestwick3_000296, Spectrum2_001162

Molecular Formula:	C₂₁H₁₈ClNO₆	Molecular Weight:	415.823720 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: FSQKKOOTNAMONP-UHFFFAOYSA-N

• Acesulfame

IUPAC Name: 6-methyl-2,2-dioxooxathiazin-4-one | CAS Registry Number: 33665-90-6
Synonyms: Acetosulfam, ACESULFAME, Acesulfame [BAN:INN], Acesulfamum [INN-Latin], Acesulfamo [INN-Spanish], HSDB 3914, EINECS 251-622-6, LS-194315, 6-Methyl-1,2,3-oxathiazin-4(3H)-on 2,2-dioxid, 6-Methyl-1,2,3-oxathiazin-4(3H)-one 2,2-dioxide, 1,2,3-Oxathiazin-4(3H)-one, 6-methyl-, 2,2-dioxide, 3,4-Dihydro-6-methyl-1,2,3-oxathiazin-4-one-2,2-dioxide, 6-Methyl-3,4-dihydro-1,2,3-oxathiazin-4-one 2,2-dioxide, 55589-62-3

Molecular Formula:	C₄H₅NO₄S	Molecular Weight:	163.151800 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: YGCFIWIQZPHFLU-UHFFFAOYSA-N

• Acrivastine

IUPAC Name: (E)-3-[6-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridin-2-yl]prop-2-enoic acid | CAS Registry Number: 87848-99-5
Synonyms: ACRIVASTINE, Acrivastin, Semprex, Semprex-D, Mixture Name, Acrivastinum [Latin], Acrivastina [Spanish], Acrivastine (USAN/INN), BW 825C, BW-825C, Acrivastine [USAN:BAN:INN], Acrivastine [USAN:INN:BAN], BW A825C, BW825C, C22H24N2O2, CID5284514, LS-178016, D02760, (E)-6-((E)-3-(1-Pyrrolidinyl)-1-p-tolylpropenyl)-2-pyridineacrylic acid, (E)-6-((E)-3-(1-Pyrrolidinyl-1-p-tolylpropenyl)-2-pyridinacrylsaeure

Molecular Formula:	C₂₂H₂₄N₂O₂	Molecular Weight:	348.438160 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: PWACSDKDOHSSQD-IUTFFREVSA-N

• Domperidone

IUPAC Name: 6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one | CAS Registry Number: 57808-66-9
Synonyms: domperidone, Motilium, Domperidon, Nauzelin, Gastrocure, Domidon, Apo Domperidone, Apo-Domperidone, Nu Domperidone, Nu-Domperidone, Domperidon AL, Domperidon Hexal, Domperidon Stada, Novo Domperidone, Novo-Domperidone, PMS Domperidone, PMS-Domperidone, ratio Domperidone, ratio-Domperidone, Domperidon TEVA

Molecular Formula:	C₂₂H₂₄ClN₅O₂	Molecular Weight:	425.911260 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: FGXWKSZFVQUSTL-UHFFFAOYSA-N

• Edaravone

IUPAC Name: 5-methyl-2-phenyl-4H-pyrazol-3-one | CAS Registry Number: 89-25-8
Synonyms: edaravone, Norphenazone, Radicut, Norantipyrine, Developer Z, edarabone, Methylphenylpyrazolone, Phenylmethylpyrazolone, C.I. Developer 1, CI Developer 1, Phenyl methyl pyrazolone, Radicut (TN), 1-Phenyl-3-methyl-5-pyrazolone, 1-Phenyl-3-methylpyrazolone, Spectrum_000267, Tocris-0786, MCI-186, Edaravone (JAN/INN), 3-Methyl-1-phenyl-5-pyrazolone, Maybridge1_005738

Molecular Formula:	C₁₀H₁₀N₂O	Molecular Weight:	174.199200 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: QELUYTUMUWHWMC-UHFFFAOYSA-N

• Ethyl 2-Amino-7-Isopropyl-5-Oxo-5H-[1]benzopyrano[2,3-B]pyridine-3-Carboxylate

IUPAC Name: ethyl 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylate | CAS Registry Number: 68301-99-5
Synonyms: Ethyl 2-amino-7-isopropyl-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylate, Ethyl2-amino-7-isopropyl-5-oxo-5H-[1]-benzopyrano-[2,3-b]pyridine-3-carboxylate, Ethyl 2-amino-7-isopropyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylate, AGN-PC-00JS3D, CTK6F6111, Ethyl2-amino-7-isopropyl-5-oxo-, ACN-S001271, ANW-60381, SBB067035, ZINC38339121, AKOS015900497, AC-2052, AG-C-25780, AK101227, KB-201284, FT-0645356, A24906, 5H-[1]-benzopyrano-[2,3-b]pyridine-3-carboxylate, I14-0659, ethyl 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylate

Molecular Formula:	C₁₈H₁₈N₂O₄	Molecular Weight:	326.346520 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: PFDJAEKKGJFCNL-UHFFFAOYSA-N

• Ethyl 3-Bromo-4-Oxo-Piperidine-1-Carboxylate

IUPAC Name: ethyl 3-bromo-4-oxopiperidine-1-carboxylate | CAS Registry Number: 95629-02-0
Synonyms: Ethyl 3-bromo-4-oxo-piperidine-1-carboxylate, 3-bromo-4-oxo-piperidine-1-carboxylic acid ethyl ester, 1carbethoxy-3-bromo-4-piperidone, 1-PIPERIDINECARBOXYLIC ACID, 3-BROMO-4-OXO-, ETHYL ESTER, SureCN160444, AGN-PC-00O192, CTK5H7896, MolPort-002-499-930, ANW-61658, AKOS015897837, AB29360, AG-H-93221, AK-36975, KB-30280, FT-0647357, 3-bromo-2-ethyl-4-oxo-piperidine-1-carboxylate, I12-0502, 3-BROMO-4-OXO-1-PIPERIDINECARBOXYLIC ACID ETHYL ESTER, 3-BROMO-4-OXO-PIPERIDINE-1-CAROBOXYLIC ACID ETHYL ESTER

Molecular Formula:	C₈H₁₂BrNO₃	Molecular Weight:	250.089780 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: DVJZXYGZKFZHQX-UHFFFAOYSA-N

• L-Serine hydrochloride

IUPAC Name: (2S)-2-amino-3-hydroxypropanoic acid;hydrochloride | CAS Registry Number: 16428-75-4
Synonyms: L-Serine hydrochloride solution, (S)-2-Amino-3-hydroxypropanoic acid hydrochloride, L-Serine, hydrochloride(1:1), 61227_FLUKA, CTK0H3300, MolPort-003-937-737, ANW-64419, AG-E-14099, AK103852, KB-211136, L-Serine,hydrochloride (9CI);Serine, hydrochloride, L- (8CI);L-Serinemonohydrochloride;Serine hydrochloride;

Molecular Formula:	C₃H₈ClNO₃	Molecular Weight:	141.553520 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	4

InChIKey: STMOVTSFWYRCOB-DKWTVANSSA-N

• Lomerizine dihydrochloride

IUPAC Name: 1-[bis(4-fluorophenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine dihydrochloride | CAS Registry Number: 101477-54-7
Synonyms: Terranas, lomerizine, Migsis, Lomerizine hydrochloride, Terranas (TN), 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

• M-Phenoxybenzoic acid

IUPAC Name: 3-(phenoxy)benzoic acid | CAS Registry Number: 3739-38-6
Synonyms: 3-Phenoxybenzoic acid, m-Phenoxybenzoic acid, Benzoic acid, 3-phenoxy-, Enamine_000396, MET758C_SUPELCO, Oprea1_360977, CBDivE_003261, BENZOIC ACID, m-PHENOXY-, 190276_ALDRICH, 46319_RIEDEL, 77708_FLUKA, EINECS 223-121-2, BRN 2105574, LS-38128, ST5137693, 4-10-00-00316 (Beilstein Handbook Reference), C017618, InChI=1/C13H10O3/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H,14,15

Molecular Formula:	C₁₃H₁₀O₃	Molecular Weight:	214.216700 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: NXTDJHZGHOFSQG-UHFFFAOYSA-N

• Meldrum's acid

IUPAC Name: 2,2-dimethyl-1,3-dioxane-4,6-dione | CAS Registry Number: 2033-24-1
Synonyms: Isopropylidene malonate, 2,2-Dimethyl-1,3-dioxane-4,6-dione, cycl-Isopropylidene malonate, 1,3-Dioxane-4,6-dione, 2,2-dimethyl-, Cyclic isopropylidene malonate, 2,2-Dimethyl-4,6-dioxo-m-dioxane, 2,2-Dimethyl-m-dioxane-4,6-dione, 210145_ALDRICH, Malonic acid, cyclic isopropylidene ester, EINECS 217-992-8, NSC 71902, NSC688343, AIDS150666, AIDS-150666, NSC71902, BRN 0117310, ZINC01697324, m-DIOXANE-4,6-DIONE, 2,2-DIMETHYL-, AI3-39039, Malonic acid cyclic isopropylidene ester

Molecular Formula:	C₆H₈O₄	Molecular Weight:	144.125320 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: GXHFUVWIGNLZSC-UHFFFAOYSA-N

• Methyl 4-oxo-3-piperidinecarboxylate hydrochloride

IUPAC Name: methyl 4-oxopiperidine-3-carboxylate hydrochloride | CAS Registry Number: 71486-53-8
Synonyms: 191515_ALDRICH, EINECS 275-526-9, SBB003611, CID2724028, 3-Methoxycarbonyl-4-piperidone hydrochloride, Methyl 4-oxopiperidine-3-carboxylate hydrochloride

Molecular Formula:	C₇H₁₂ClNO₃	Molecular Weight:	193.628080 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: NMAACQILAGCQPR-UHFFFAOYSA-N

• N-(4-Bromobenzoyl)-4-Methylpiperazine-1-Carboxamide

IUPAC Name: N-(4-bromobenzoyl)-4-methylpiperazine-1-carboxamide | CAS Registry Number: 6312-50-1
Synonyms: NSC40345, CID237105

Molecular Formula:	C₁₃H₁₆BrN₃O₂	Molecular Weight:	326.189040 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: LUWIKRVXBFEEHB-UHFFFAOYSA-N

• N-Acetylcarnosine

IUPAC Name: 2-(3-acetamidopropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid | CAS Registry Number: 56353-15-2
Synonyms: EINECS 260-123-2, N-(N-Acetyl-beta-alanyl)-L-histidine

Molecular Formula:	C₁₁H₁₆N₄O₄	Molecular Weight:	268.269140 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	6

InChIKey: BKAYIFDRRZZKNF-UHFFFAOYSA-N

• N-Benzyl-1-aminoadamantane

IUPAC Name: N-benzyladamantan-1-amine | CAS Registry Number: 3717-60-0
Synonyms: N-benzyladamantan-1-amine, N-BENZYL-1-AMINOADAMANTANE, AC1MHRLR, SureCN1074947, N-(1-adamantyl)-N-benzylamine, CHEMBL2324177, CTK4H7863, MolPort-000-940-463, AKOS000227367, AG-F-30178, Q907, AM20040309, S14-2982, Tricyclo[3.3.1.1]decan-1-amine, N-(phenylmethyl)-, Tricyclo[3.3.1.13,7]decan-1-amine,N-(phenylmethyl)-, 1-Adamantanamine,N-benzyl- (7CI,8CI);N-(1-Adamantyl)-N-benzylamine;N-Benzyl-1-adamantanamine;N-Benzyl-1-aminoadamantane;N-benzyltricyclo[3.3.1.13,7]decan-1-amine;Tricyclo[3.3.1.1]decan-1-amine, N-(phenylmethyl)-;

Molecular Formula:	C₁₇H₂₃N	Molecular Weight:	241.371220 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: OFNIFAABSYOPSM-UHFFFAOYSA-N

• Perospirone hydrochloride

IUPAC Name: (3aS,7aR)-2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione hydrochloride | CAS Registry Number: 129273-38-7
Synonyms: Perospirone, Lullan, PEROSPIRONE HCl, C23H30N4O2S.HCl, MLS001401379, SM-9018, SM 9018, CPD000466362, LS-84503, SAM001246688, SMR000466362, 1H-Isoindole-1,3(2H)-dione, 2-(4-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)butyl)hexahydro-, monohydrochloride, (3aR,7aS)-rel-, 1H-Isoindole-1,3(2H)-dione, 2-(4-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)butyl)hexahydro-, monohydrochloride, cis-, 1H-Isoindole-1,3(2H)-dione, 2-(4-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)butyl)hexahydro-,monohydrochloride, cis-, 2-(4-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)butyl)hexahydro-1H-isoindole-1,3-(2H)-dione

Molecular Formula:	C₂₃H₃₁ClN₄O₂S	Molecular Weight:	463.035840 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: HIZFAPMOZFYELI-GNXQHMNLSA-N

• Pharmaceutic Intermediates

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• Pharmaceutical Raw Materials and Intermediates

• Phenazopyridine hydrochloride

IUPAC Name: 3-phenyldiazenylpyridine-2,6-diamine hydrochloride | CAS Registry Number: 136-40-3
Synonyms: Urodine, Phenazodine, Pyripyridium, Mallophene, Pyrazodine, Pyridacil, Pyridiate, Bisteril, Diridone, Pyridium, Suladyne, Uridinal, Azodyne, Azomine, Sedural, Pirid, Azosulfisox, Pyridivite, Mallofeen, Nefrecil

Molecular Formula:	C₁₁H₁₂ClN₅	Molecular Weight:	249.699480 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: QQBPIHBUCMDKFG-UHFFFAOYSA-N

• Pioglitazone hydrochloride

IUPAC Name: 5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione hydrochloride | CAS Registry Number: 112529-15-4
Synonyms: Actos, Pioglitazone HCl, Duetact, Glustin, Zactos, Mixture Name, pioglitazone hydrochloride, Actos (TN), C19H20N2O3S.HCl, MLS001306462, MLS001401386, SPECTRUM1504401, Pioglitazone hydrochloride [USAN], U-72107A, CID60560, Pioglitazone hydrochloride (JAN/USP), U-72107E, AD-4833, NCGC00095131-01, NCGC00095131-02

Molecular Formula:	C₁₉H₂₁ClN₂O₃S	Molecular Weight:	392.899640 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: GHUUBYQTCDQWRA-UHFFFAOYSA-N

• Pitavastatin Calcium

IUPAC Name: calcium;7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate | CAS Registry Number: 121659-03-8
Synonyms: AGN-PC-005ASO, calcium;(E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate

Molecular Formula:	C₅₀H₄₆CaF₂N₂O₈	Molecular Weight:	880.983646 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	12

InChIKey: RHGYHLPFVJEAOC-UHFFFAOYSA-L

• Pitavastatin calcium

IUPAC Name: calcium (E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate | CAS Registry Number: 147526-32-7
Synonyms: Livalo, Nisvastatin, Itavastatin, Pitavastatin, Itavastatin calcium, Livalo (TN), Pitavastatin hemicalcium, Pitavastatin calcium (JAN), 2C25H23FNO4.Ca, NK 104, NK-104, NKS-104, CID5282451, LS-74595, D01862, P 872441, P-872441, 6-Heptenoic acid, 7-(2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl)-3,5-dihydroxy-, calcium salt (2:1), (S-(R*,S*-(E)))-, Bis((3R,5S,6E)-7-(2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl)-3,5-dihydroxy-6-heptenoate), monocalcium salt, 6-Heptenoic acid, 7-(2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl)-3,5-dihydroxy-,calcium salt (2:1), (3R,5S,6E)-

Molecular Formula:	C₅₀H₄₆CaF₂N₂O₈	Molecular Weight:	880.983646 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	12

InChIKey: RHGYHLPFVJEAOC-FFNUKLMVSA-L

• Potassium oxonate

IUPAC Name: potassium 4,6-dioxo-1H-1,3,5-triazine-2-carboxylate | CAS Registry Number: 2207-75-2
Synonyms: Oxonate, Oxonate, potassium, Allantoxanic acid, Potassium azaorotate, Oteracil potassium, Oxonic acid, potassium salt, Oxonic acid potassium salt, Allantoxanic acid, potassium salt, 5-Azaorotic acid, potassium salt, 156124_ALDRICH, Allantoxanic acid potassium salt, EINECS 218-627-5, NSC 28841, Potassium 2,6-dihydroxytriazinecarboxylate, NSC28841, Allantoxanic acid, monopotassium salt, Potassium s-triazine-2,4-dione-6-carboxylate, LS-101118, Allantoxanic acid, monopotassium salt (8CI), C15997

Molecular Formula:	C₄H₂KN₃O₄	Molecular Weight:	195.174680 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: IAPCTXZQXAVYNG-UHFFFAOYSA-M

• Terbinafine hydrochloride

IUPAC Name: (E)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine hydrochloride | CAS Registry Number: 78628-80-5
Synonyms: Lamisil, Terbinafine HCl, Lamisil Krem, Terbisil, Afogan, Daskil, Lamisil AT, TerbiFoam, InnoNyx, Terbinafinum [Latin], Terbinafina [Spanish], Lamisil (TN), Ambap2235, SF 86-327 hydrochloride, C21H25N.HCl, MLS001066620, MLS001304037, MLS001401424, DRG-0286, Terbinafine hydrochloride (JAN)

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

InChIKey: BWMISRWJRUSYEX-SZKNIZGXSA-N

• Torsemide

IUPAC Name: 1-[4-(3-methylanilino)pyridin-3-yl]sulfonyl-3-propan-2-ylurea | CAS Registry Number: 56211-40-6
Synonyms: Torasemide, Demadex, TORSEMIDE, Luprac, Presoril, Toradiur, Torocard, Dilutol, Sutril, Torrem, Torem, Unat, Torasemide N, Torsemide [USAN], Torsemide (USP), Demadex (TN), Luprac (TN), Torasemidum [INN-Latin], Torasemida [INN-Spanish], Ambap3994

Molecular Formula:	C₁₆H₂₀N₄O₃S	Molecular Weight:	348.420000 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: NGBFQHCMQULJNZ-UHFFFAOYSA-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

• Valproic acid sodium salt

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, Dipropylacetate sodium, Sodium dipropylacetate, Depakene (TN), Selenica (TN), Sodium bispropylacetate, Valproic acid sodium, Valproinsaeure, natrium, DEPACON

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

InChIKey: AEQFSUDEHCCHBT-UHFFFAOYSA-M

• 1,3-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (3R)-

IUPAC Name: (3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid | CAS Registry Number: 72925-16-7
Synonyms: (R)-1-Boc-pyrrolidine-3-carboxylic acid, (R)-1-N-Boc-beta-proline, (R)-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acid, boc-l-beta-proline, (r)-1-boc-3-carboxyl pyrrolidine, (r)-n-boc-pyrrolidine-3-carboxylic acid, (R)-1-N-Boc-belta-proline, R-1-BOC-Pyrrolidine-3-carboxylic acid, (r)-1-n-boc-pyrrolidine-3-carboxylic acid, (r)-pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester, 1,3-pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (3r)-, N-BOC-D-BETA-PROLINE, N-BOC-L-BETA-PROLINE, PubChem11134, AC1LTQ8N, SureCN42957, BOC-BETA-D-PROLINE, (R)-1-N-Boc-A-proline, KSC915G9D, CTK8B5391

Molecular Formula:	C₁₀H₁₇NO₄	Molecular Weight:	215.246280 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: HRMRQBJUFWFQLX-SSDOTTSWSA-N

• 1-(1-(1,3-Benzodioxol-5-Yl)propan-2-Yl)-4-(4-Methyl-1,3-Thiazol-2-Yl)piperazine

IUPAC Name: 2-[4-[1-(1,3-benzodioxol-5-yl)propan-2-yl]piperazin-1-yl]-4-methyl-1,3-thiazole | CAS Registry Number: 13409-53-5
Synonyms: Podilfen, Podilfen [INN], UNII-LI81FMI713, CID3050403

Molecular Formula:	C₁₈H₂₃N₃O₂S	Molecular Weight:	345.459120 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: ZDFJACWXFWFFKY-UHFFFAOYSA-N

• 1-(2-(4-Fluorophenyl)ethyl)piperazine

IUPAC Name: 1-[2-(4-fluorophenyl)ethyl]piperazine | CAS Registry Number: 70931-33-8
Synonyms: 1-[2-(4-fluorophenyl)ethyl]piperazine, 1-(4-fluorophenethyl)piperazine, AG-G-77385, 1-(2-(4-FLUOROPHENYL)ETHYL)PIPERAZINE, SureCN2549429, AGN-PC-005D1A, CTK5D3191, MolPort-003-741-749, AKOS005063481, RP26433, Piperazine,1-[2-(4-fluorophenyl)ethyl]-, KB-151370, Piperazine, 1-[2-(4-fluorophenyl)ethyl]-, I14-13336, 1-(4-Fluorophenethyl)piperazine;1-[2-(4-Fluorophenyl)ethyl]piperazine

Molecular Formula:	C₁₂H₁₇FN₂	Molecular Weight:	208.275183 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: LODHVDKKTUZVDK-UHFFFAOYSA-N

• 1-(3-Chloropropyl)-4-Methyl Piperazine

IUPAC Name: 1-(3-chloropropyl)-4-methylpiperazine | CAS Registry Number: 104-16-5
Synonyms: N-Methylpiperazinopropyl chloride, 1-(3-Chloropropyl)-4-methylpiperazine, EINECS 203-181-6, BRN 0106074, Piperazine, 1-(3-chloropropyl)-4-methyl-, LS-111380, 5-23-01-00141 (Beilstein Handbook Reference), AE-848/33829046

Molecular Formula:	C₈H₁₇ClN₂	Molecular Weight:	176.686980 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: AUERUDPETOKUPT-UHFFFAOYSA-N

• 1-(3-Chloropropyl)-4-methylpiperazine dihydrochloride

IUPAC Name: 1-(3-chloropropyl)-4-methylpiperazine dihydrochloride | CAS Registry Number: 2031-23-4
Synonyms: EINECS 217-981-8

Molecular Formula:	C₈H₁₉Cl₃N₂	Molecular Weight:	249.608860 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: RRZYWKLLIIIINP-UHFFFAOYSA-N

• 1-Benzyl-3-(tert-Butoxycarbonylamino)pyrrolidine

IUPAC Name: tert-butyl N-(1-benzylpyrrolidin-3-yl)carbamate | CAS Registry Number: 99735-30-5
Synonyms: AmbTiB80103, 1-Benzyl-3-(Boc-amino)pyrrolidine, CID3575823, B80103, Tert-butyl N-(1-benzylpyrrolidin-3-yl)carbamate

Molecular Formula:	C₁₆H₂₄N₂O₂	Molecular Weight:	276.373960 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: PHOIDJGLYWEUEK-UHFFFAOYSA-N

• 1-Boc-3-pyrrolidinone

IUPAC Name: tert-butyl 3-oxopyrrolidine-1-carboxylate | CAS Registry Number: 101385-93-7
Synonyms: N-Boc-3-pyrrolidinone, N-Boc-3-pyrrolidinol, 637564_ALDRICH, AIDS071255, AIDS-071255, ZINC04202590, tert-Butyl 3-oxopyrrolidinecarboxylate, N-(tert-Butoxycarbonyl)-3-pyrrolidinone, TL806112

Molecular Formula:	C₉H₁₅NO₃	Molecular Weight:	185.220300 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: JSOMVCDXPUXKIC-UHFFFAOYSA-N

• 1-Phenyl-2-nitropropene

IUPAC Name: [(E)-2-nitroprop-1-enyl]benzene | CAS Registry Number: 705-60-2
Synonyms: Caswell No. 604, (2-Nitropropenyl)benzene, Benzene, 2-nitropropenyl-, (2-Nitro-1-propenyl)benzene, 1-Phenyl-2-nitro-1-propene, Benzene, (2-nitro-1-propenyl)-, 1-(2-Nitropropenyl)benzene, beta-Methyl-beta-nitrostyrene, Benzene, (2-nitropropenyl)-, 2-Nitro-1-phenyl-1-propene, 424749_ALDRICH, NSC 2014, 1-(2-nitroprop-1-enyl)benzene, NSC2014, ZINC04524372, .beta.-Methyl-.beta.-nitrostyrene, EPA Pesticide Chemical Code 056302, trans-beta-Methyl-beta-nitrostyrene, BENZENE, 1-(2-NITROPROPENYL)-, BRN 1863853

Molecular Formula:	C₉H₉NO₂	Molecular Weight:	163.173260 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: WGSVFWFSJDAYBM-BQYQJAHWSA-N

• 2,3-Dihydro-1h-Cyclopenta[b]quinolin-9-Ylamine

IUPAC Name: 2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine | CAS Registry Number: 18528-78-4
Synonyms: Oprea1_388764, Oprea1_476136, BRN 0150700, CID205772, STK082307, 9-Amino-2,3-dihydro-1H-cyclopenta(b)quinoline, 1H-Cyclopenta(b)quinoline, 2,3-dihydro-9-amino-, BAS 00232272, LS-58220, EU-0084150, 2,3-Dihydro-1H-cyclopenta[b]quinolin-9-amine, 2,3-Dihydro-1H-cyclopenta[b]quinolin-9-ylamine, 5-22-10-00471 (Beilstein Handbook Reference), A0600/0027757

Molecular Formula:	C₁₂H₁₂N₂	Molecular Weight:	184.237080 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: GYSCQDBTSDBCGY-UHFFFAOYSA-N

• 2,4-Dihydroxy-3-nitropyridine

IUPAC Name: 4-hydroxy-3-nitro-1H-pyridin-2-one | CAS Registry Number: 89282-12-2
Synonyms: 3-Nitropyridine-2,4-diol, 3-nitro-2,4-pyridinediol, 4,6-Dihydroxy-5-nitropyridine, 4-Hydroxy-3-nitro-2-pyridone, AE-842/32231011, PubChem5469, ACMC-209qzb, SureCN1191637, KSC495S9N, CTK3J5996, MolPort-000-139-945, ACN-S001261, ANW-39237, CL0010, SBB055676, ZINC12360011, 2-hydroxy-3-nitro-1H-pyridin-4-one, 4-Hydroxy-3-nitro-2(1H)-pyridinone, AKOS005257339, 3-nitro-2-oxidanyl-1H-pyridin-4-one

Molecular Formula:	C₅H₄N₂O₄	Molecular Weight:	156.096260 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: BKYGVGWYPFVKTK-UHFFFAOYSA-N

• 2,4-Dihydroxypyridine

IUPAC Name: 2-hydroxy-1H-pyridin-4-one | CAS Registry Number: 626-03-9
Synonyms: 3-Deazauracil, 2,4-Pyridinediol, 4-Hydroxy-2-pyridone, 2,4-DIHYDROXYPYRIDINE, pyridine-2,4-diol, 2(1H)-Pyridinone, 4-hydroxy-, 2(1H)-Pyridinone,4-hydroxy, 4-Hydroxy-2(1H)-pyridinone, 2(1H)-Pyridone, 4-hydroxy-, 176974_ALDRICH, NSC37839, 37945_FLUKA, EINECS 210-924-8, NSC 37839, NSC119859, AIDS081856, NSC 119859, AIDS-081856, SBB004331, ZINC03861292

Molecular Formula:	C₅H₅NO₂	Molecular Weight:	111.098700 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: ZEZJPIDPVXJEME-UHFFFAOYSA-N

• 2,6-Diisopropyl Phenol

IUPAC Name: 2,6-di(propan-2-yl)phenol | CAS Registry Number: 2078-54-8
Synonyms: propofol, Diprivan, Disoprofol, Diisopropylphenol, 2,6-DIISOPROPYLPHENOL, Disoprivan, Propofolum, Dipravan, Fresofol, Ampofol, Aquafol, Recofol, Ivofol, Propofol Abbott, Propofol-Lipuro, Propofol Rovi, Propofol MCT, 2,6-Bis(1-methylethyl)phenol, Propofolum [Latin], Propofol Fresenius

Molecular Formula:	C₁₂H₁₈O	Molecular Weight:	178.270720 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: OLBCVFGFOZPWHH-UHFFFAOYSA-N

• 2-((4-Phenylpiperazine-1-Yl)methyl)QUINOLINE

IUPAC Name: 2-[(4-phenylpiperazin-1-yl)methyl]quinoline | CAS Registry Number: 39819-27-7
Synonyms: 2-[(4-phenylpiperazin-1-yl)methyl]quinoline, 2-((4-PHENYLPIPERAZINE-1-YL)METHYL)QUINOLINE, AC1L3LUZ, KB-161519, 2-[(4-phenyl-1-piperazinyl)methyl]quinoline, A824748

Molecular Formula:	C₂₀H₂₁N₃	Molecular Weight:	303.400840 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: AYYGDHAILGUSIQ-UHFFFAOYSA-N

• 2-[3-(4-Nitrophenyl)propylamino]ethanol

IUPAC Name: 2-[3-(4-nitrophenyl)propylamino]ethanol | CAS Registry Number: 130634-09-2
Synonyms: Ethanol,2-[[3-(4-nitrophenyl)propyl]amino]-, N-(2-Hydroxyethyl)-3-(4-nitrophenyl) propylamine, 2-[3-(4-nitrophenyl)propylamino]ethanol, ACMC-1CUHJ, SureCN9060802, CTK4B6845, SBB063462, AKOS015889000, AC-4713, AG-D-62211, RP27518, AK-57421, KB-166559, 2-((3-(4-Nitrophenyl)propyl)amino)ethanol, FT-0643135, 2-{[3-(4-Nitrophenyl)propyl]amino}ethanol;, N-(2-Hydroxyethyl-3-4-nitrophenyl) propylamine, N-(2-Hydroxyethyl)-3-(4-nitrophenyl)propylamine, I01-1747, N-(2-Hydroxyethyl pound(c)-3- pound 4-nitrophenyl) propylamine C11H16N2O3

Molecular Formula:	C₁₁H₁₆N₂O₃	Molecular Weight:	224.256340 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: RGJQCMUPYAXGNG-UHFFFAOYSA-N

• 2-Acetylaminophenylboronic acid

IUPAC Name: (2-acetamidophenyl)boronic acid | CAS Registry Number: 169760-16-1
Synonyms: 2-Acetamidophenylboronic acid, 2-Carbamoylbenzeneboronic acid, 683906_ALDRICH, (2-acetamidophenyl)boronic acid, BM153, ALBB-006110, TL8007116

Molecular Formula:	C₈H₁₀BNO₃	Molecular Weight:	178.980900 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: UMOPBIVXPOETPG-UHFFFAOYSA-N

• 2-Ethyl-1H-indole

IUPAC Name: 2-ethyl-1H-indole | CAS Registry Number: 3484-18-2
Synonyms: 2-ethyl-1H-indole, 2-Ethylindole, 1H-Indole, 2-ethyl-, PubChem22566, AC1MWMI0, SureCN108061, CTK1C2018, MolPort-002-474-549, ANW-72719, ZINC02169101, AKOS006272645, AG-J-01896, RP21011, AK-29204, KB-170310, TL8007346, AM20080661, FT-0649734, E-7855, A822433

Molecular Formula:	C₁₀H₁₁N	Molecular Weight:	145.201040 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	0

InChIKey: BWNBLGQCCSCCHF-UHFFFAOYSA-N

• 2-Phenyl-2,3-diazaspiro[4.5]decane-1,4-dione

IUPAC Name: 3-phenyl-2,3-diazaspiro[4.5]decane-1,4-dione | CAS Registry Number: 16418-56-7
Synonyms: CTK4D1746, AKOS015914577, AG-E-14020, KB-174082, 2,3-Diazaspiro[4.5]decane-1,4-dione,2-phenyl-, 2,3-diazaspiro[4.5]decane-1,4-dione, 2-phenyl-;, I14-42650

Molecular Formula:	C₁₄H₁₆N₂O₂	Molecular Weight:	244.289040 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: MUSDGDGZYDTPPU-UHFFFAOYSA-N