Tocris Bioscience

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Profile: Tocris Bioscience specializes in the supply of life science research reagents. Our products include small molecules, peptides, antibodies, GPCR ligands, neurotransmitters, ion channel modulators and signaling inhibitors. Our neurotransmitter transporters are a group of transmembrane proteins that carry neurotransmitters across biological membranes to specific cellular and subcellular locations. They are found in the plasma membrane of neurons and glia & members of this family are sodium-dependent. They often rely on an electrochemical gradient across the membrane to provide energy for neurotransmitter transport. Neurotransmitter transporters are found at high concentrations in synaptic clefts where they act to terminate the effects of the neurotransmitter by removing it from the cleft.

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• Zolpidem

IUPAC Name: N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide | CAS Registry Number: 82626-48-0
Synonyms: zolpidem, Lorex, Ambien, Zolpidemum [Latin], ZOLPIDEM TARTRATE, Zolpidem [INN:BAN], Z103_SIGMA, DEA No. 2783, BSPBio_002278, SPECTRUM1505369, STOCK6S-53875, CID5732, 2C19H21N3O, DB00425, SL-800750, NCGC00095179-01, NCGC00095179-02, NCGC00095179-03, NCGC00095179-04, LS-80196

Molecular Formula:	C₁₉H₂₁N₃O	Molecular Weight:	307.389540 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: ZAFYATHCZYHLPB-UHFFFAOYSA-N

• Zonisamide

IUPAC Name: 1,2-benzoxazol-3-ylmethanesulfonamide | CAS Registry Number: 68291-97-4
Synonyms: zonisamide, Zonegran, Exceglan, Excegram, Excegran, Tremode, Trerief, Zonisamidum [Latin], Zonisamida [Spanish], Excegran (TN), Zonisamide (ZNS), C8H8N2O3S, HSDB 7293, MLS001195632, MLS001306491, Zonisamide (JAN/USAN/INN), AD-810, CI-912, Zonisamide [USAN:BAN:INN:JAN], 1,2-Benzisoxazole-3-methanesulfonamide

Molecular Formula:	C₈H₈N₂O₃S	Molecular Weight:	212.225720 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: UBQNRHZMVUUOMG-UHFFFAOYSA-N

• Zopiclone

IUPAC Name: [6-(5-chloropyridin-2-yl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate | CAS Registry Number: 43200-80-2
Synonyms: zopiclone, Imovane, Amoban, Zimovane, Amovane, Ximovan, zopiclodura, Eszopiclone, Optidorm, Somnosan, Zimoclone, Zopicalm, Zopicalma, Zorclone, Limovan, Rhovane, Zopitan, Siaten, Zileze, ratio-Zopiclone

Molecular Formula:	C₁₇H₁₇ClN₆O₃	Molecular Weight:	388.808280 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	7

InChIKey: GBBSUAFBMRNDJC-UHFFFAOYSA-N

• 9(10h)-Anthracenone, 10,10-Bis[(2-Fluoro-4-Pyridinyl)methyl]-

IUPAC Name: 10,10-bis[(2-fluoropyridin-4-yl)methyl]anthracen-9-one | CAS Registry Number: 160588-45-4
Synonyms: 10,10-BIS[(2-FLUORO-4-PYRIDINYL)METHYL]-9(10H)-ANTHRACENONE, SureCN1111017, CHEMBL343822, CTK8E9252, DMP 543, MolPort-003-983-560, HMS3268N10, NCGC00092374-01, FT-0643556, BRD-K89274813-001-01-5

Molecular Formula:	C₂₆H₁₈F₂N₂O	Molecular Weight:	412.430726 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: MUJBUUDUXGDXLW-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

• 1h-Imidazole, 2-(2-Ethyl-2,3-Dihydro-2-Benzofuranyl)-4,5-Dihydro-, Monohydrochloride

IUPAC Name: 2-[(2R)-2-ethyl-3H-1-benzofuran-2-yl]-4,5-dihydro-1H-imidazol-3-ium | CAS Registry Number: 89197-00-2
Synonyms: ZINC01842775

Molecular Formula:	C₁₃H₁₇N₂O+	Molecular Weight:	217.286880 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: RATZLMXRALDSJW-CYBMUJFWSA-O

• 2h-1,4-Benzoxazine-8-Carboxamide, N-1-Azabicyclo[2.2.2]oct-3-Yl-6-Chloro-3,4-Dihydro-4-Methyl-3-Oxo-, Monohydrochloride

IUPAC Name: N-(1-azabicyclo[2.2.2]octan-8-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide hydrochloride | CAS Registry Number: 123040-16-4
Synonyms: Serotone, Azasetron, azasetron hydrochloride, Azasetron HCl, Serotone (TN), Nazasetron hydrochloride, C17H20ClN3O3.HCl, MLS000758245, MLS001424223, Azasetron hydrochloride (JAN), CID115000, CPD000466285, LS-41695, SAM001247082, SMR000466285, Y 25130, D01613, Y-25130, I06-0644, 2H-1,4-Benzoxazine-8-carboxamide, 3,4-dihydro-N-1-azabicyclo(2.2.2)oct-3-yl-6-chloro-4-methyl-3-oxo-, monohydrochloride

Molecular Formula:	C₁₇H₂₁Cl₂N₃O₃	Molecular Weight:	386.272940 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: DBMKBKPJYAHLQP-UHFFFAOYSA-N

• (-)-Cotinine

IUPAC Name: 1-methyl-5-pyridin-3-ylpyrrolidin-2-one | CAS Registry Number: 486-56-6
Synonyms: cotinine, Scotine, (S)-Cotinine, Cotinine [INN], (S)-(-)-Cotinine, Cotininum [INN-Latin], Cotinina [INN-Spanish], CCRIS 7625, C10H12N2O, EINECS 207-634-9, NIH 10498, BRN 0083099, 2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)-, (S)-, NCGC00093739-01, NCGC00093739-02, NCGC00093739-03, NCGC00093739-04, NCGC00093739-05, NCGC00093739-06, NCGC00093739-07

Molecular Formula:	C₁₀H₁₂N₂O	Molecular Weight:	176.215080 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: UIKROCXWUNQSPJ-UHFFFAOYSA-N

• 4-Aminopyridine

IUPAC Name: pyridin-4-amine | CAS Registry Number: 504-24-5
Synonyms: 4-aminopyridine, 4-Pyridinamine, Fampridine, Avitrol, 4-Pyridylamine, p-Aminopyridine, Fampridine-SR, Neurelan, Pymadine, pyridin-4-amine, Pyridine, 4-amino-, Amino-4 pyridine, gamma-Aminopyridine, Aminopyridine, Ampydin, Pymadin, 4 Aminopyridine, Avitrol 200, Fampridine SR, Pimadin (free base)

Molecular Formula:	C₅H₆N₂	Molecular Weight:	94.114540 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: NUKYPUAOHBNCPY-UHFFFAOYSA-N

• 3-(2-Amino-Ethyl)-1h-Indole-5-Carboxylic Acid Amide

IUPAC Name: 3-(2-aminoethyl)-1H-indole-5-carboxamide | CAS Registry Number: 74885-09-9
Synonyms: 5-Carboxamidotryptamine, 5-Carboxyamidotryptamine, 5-Carboxamide tryptamine, Tocris-0458, Lopac-C-117, 5-CT, Biomol-NT_000109, Lopac0_000352, CID1809, 5-Carboxamidotryptamine maleate, BPBio1_001405, C11H13N3O, CHEBI:48292, MolPort-000-001-069, [3H]-5-CT, NCGC00024598-01, PDSP1_000774, PDSP2_000762, 3-(2-Aminoethyl-1H-indole-5-carboxamide, 3-(2-aminoethyl)-1H-indole-5-carboxamide

Molecular Formula:	C₁₁H₁₃N₃O	Molecular Weight:	203.240420 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	2

InChIKey: WKZLNEWVIAGNAW-UHFFFAOYSA-N

• 5-bromo-n-(4,5-dihydro-1h-imidazol-2-yl)-6-quinoxalinamine

IUPAC Name: 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine | CAS Registry Number: 59803-98-4
Synonyms: brimonidine, Bromoxidine, Alphagan P, Alphagan, Brimonidine (INN), nchembio705-7, Tocris-0425, BRIMONIDINE TARTRATE, Lopac-U-104, Brimonidine [INN:BAN], U104_SIGMA, Lopac0_001216, C11H10BrN5, MLS000069370, MLS001076349, CHEBI:3175, UK 14,304, STOCK6S-47874, CID2435, UK 14304

Molecular Formula:	C₁₁H₁₀BrN₅	Molecular Weight:	292.134600 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: XYLJNLCSTIOKRM-UHFFFAOYSA-N

• 4h-2,3-Benzodiazepin-4-One, 1-(4-Aminophenyl)-3,5-Dihydro-7,8-Dimethoxy-

IUPAC Name: 1-(4-aminophenyl)-7,8-dimethoxy-3,5-dihydro-2,3-benzodiazepin-4-one | CAS Registry Number: 178616-26-7
Synonyms: 1-(4'-AMINOPHENYL)-3,5-DIHYDRO-7,8-DIMETHOXY-4H-2,3-BENZODIAZEPIN-4-ONE, CFM-2, NCGC00024988-01, Tocris-1082, AC1N8ZHC, Biomol-NT_000179, SureCN1056361, BPBio1_001170, CHEMBL279218, CTK8E8803, MolPort-003-983-534, HMS3267G18, NCGC00024988-02, KB-147109, BRD-K42859542-001-01-7, 1-(4-aminophenyl)-7,8-dimethoxy-3,5-dihydro-2,3-benzodiazepin-4-one

Molecular Formula:	C₁₇H₁₇N₃O₃	Molecular Weight:	311.335180 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: MJKADKZSYQWGLL-UHFFFAOYSA-N

• (S)-(-)-Propranolol Hydrochloride

IUPAC Name: (2S)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol hydrochloride | CAS Registry Number: 4199-10-4
Synonyms: Dexpropranolol hydrochloride, MLS000859887, P8688_SIGMA, SPECTRUM1500514, EINECS 224-096-0, (S)-( )-Propranolol hydrochloride, (S)-(-)-Propranolol hydrochloride, CID165193, KS-1097, SMR000326749, LS-184130, EU-0101023, (S)-(2-Hydroxy-3-(naphthyloxy)propyl)isopropylammonium chloride, (S)-1-Isopropylamino-3-(1-naphthyloxy)-2-propanol hydrochloride

Molecular Formula:	C₁₆H₂₂ClNO₂	Molecular Weight:	295.804380 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: ZMRUPTIKESYGQW-UQKRIMTDSA-N

• 1-Aminocyclobutane carboxylic acid

IUPAC Name: 1-aminocyclobutane-1-carboxylic acid | CAS Registry Number: 22264-50-2
Synonyms: 1-Aminocyclobutanecarboxylic acid, Tocris-0258, 1y1z, SpecPlus_000653, Spectrum2_001476, Spectrum3_000743, Spectrum4_001046, Spectrum5_001835, Cyclobutanecarboxylic acid, 1-amino-, BSPBio_002326, KBioGR_001312, DivK1c_006749, SPBio_001431, 652369_ALDRICH, KBio1_001693, KBio3_001546, NSC 403363, ALBB-010153, CB 1700, BRN 2802253

Molecular Formula:	C₅H₉NO₂	Molecular Weight:	115.130460 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: FVTVMQPGKVHSEY-UHFFFAOYSA-N

• 6-Quinoxalinecarbonitrile, 1,2,3,4-Tetrahydro-7-Nitro-2,3-Dioxo-

IUPAC Name: 7-nitro-2,3-dioxo-1,4-dihydroquinoxaline-6-carbonitrile | CAS Registry Number: 115066-14-3
Synonyms: CNQX, nchembio.95-comp12, Tocris-0190, Biomol-NT_000200, C127_SIGMA, Lopac0_000384, BPBio1_001232, C9H2N4O4, 6-CYANO-7-NITROQUINOXALINE-2,3-DIONE, FG-9065, OR9820T, AKM00142, FG9065, ZINC08662575, 6 Cyano 7 nitroquinoxaline 2,3 dione, CID3721046, FG 9065, NCGC00024491-01, NCGC00024491-02, 6 Cyano 2,3 dihydroxy 7 nitroquinoxaline

Molecular Formula:	C₉H₄N₄O₄	Molecular Weight:	232.152460 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: RPXVIAFEQBNEAX-UHFFFAOYSA-N

• 6,7-Dinitro-2,3-Dihydroxyquinoxaline

IUPAC Name: 6,7-dinitro-1,4-dihydroquinoxaline-2,3-dione | CAS Registry Number: 2379-57-9
Synonyms: dnqx, 1ftl, Tocris-0189, Lopac-D-0540, Biomol-NT_000182, Lopac0_000345, Oprea1_127694, 6,7-Dinitroquinoxaline-2,3-dione, MLS000705107, D0540_SIGMA, 6,7-dinitro-2,3-quinoxalinediol, BPBio1_001176, C8H4N4O6, FG 9041, FG-9041, CID3899541, NCGC00015319-01, NCGC00024490-01, NCGC00024490-02, NCGC00024490-03

Molecular Formula:	C₈H₄N₄O₆	Molecular Weight:	252.140560 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: RWVIMCIPOAXUDG-UHFFFAOYSA-N

• 3-Ethyl-2-Benzimidazolinone

IUPAC Name: 3-ethyl-1H-benzimidazol-2-one | CAS Registry Number: 10045-45-1
Synonyms: 1-Ethyl-2-benzimidazolinone, 1-EBIO, Tocris-1041, 1-Ethyl-Benzimidazolinone, 1-Ethylbenzimidazolin-2-one, 1-ethyl-2-benzimidazolone, C9H10N2O, EINECS 233-148-1, ZINC02564009, CID82320, NCGC00024958-01, BBV-27019739, LS-171746, C13840, C102635, InChI=1/C9H10N2O/c1-2-11-8-6-4-3-5-7(8)10-9(11)12/h3-6H,2H2,1H3,(H,10,12

Molecular Formula:	C₉H₁₀N₂O	Molecular Weight:	162.188500 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: CXUCKELNYMZTRT-UHFFFAOYSA-N

• 5-Methylfurmethiodide

IUPAC Name: trimethyl-[(5-methylfuran-2-yl)methyl]azanium iodide | CAS Registry Number: 1197-60-0
Synonyms: Methylfurmetide, Methylfurmethide, 5-Methylfurmithide, Preparation 7070, Methylfurmethide iodide, 5 MFT, 5-Methylfurtrethonium iodide, C9H16NO.I, NSC 34095, NSC34095, (5-Methylfurfuryl)trimethylammonium iodide, AI3-61538, Ammonium, (5-methylfurfuryl)trimethyl-, iodide, NCGC00095314-01, LS-18664, Ammonium, trimethyl(5-methylfurfuryl)-, iodide, N,N,N,5-Tetramethyl-2-furanmethanaminium iodide, ST5409153, 2-Furanmethanaminium, N,N,N,5-tetramethyl-, iodide, 2-Furanmethaniminium, N,N,N,5-tetramethyl-, iodide

Molecular Formula:	C₉H₁₆INO	Molecular Weight:	281.133910 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: IHTCZSNKQINGDD-UHFFFAOYSA-M

• (+/-)-Trans-Azetidine-2,4-Dicarboxylic Acid

IUPAC Name: (2S,4S)-azetidin-1-ium-2,4-dicarboxylate | CAS Registry Number: 161596-62-9
Synonyms: ZINC02560277, ZINC02567715, CID7020765

Molecular Formula:	C₅H₆NO₄-	Molecular Weight:	144.105440 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: JMVIGOFRIJJUAW-HRFVKAFMSA-M

• 4-Amino-3-(4-Chloro-Phenyl)-Butyric Acid

IUPAC Name: (3R)-4-amino-3-(4-chlorophenyl)butanoic acid | CAS Registry Number: 69308-37-8
Synonyms: d-Baclofen, baclofen, (R)-Baclofen, (-)-Baclofen, R-(-)-Baclofen, (R)-(-)-Baclofen, Tocris-0796, CHEBI:181559, MolPort-002-507-841, BB_SC-2100, CID44602, NCGC00024796-01, (R)-4-Amino-3-(4-chlorophenyl)butanoic acid, 4-Amino-3-(4-chloro-phenyl)-butyric acid, LS-182284, (R)-4-Amino-3-(4-chloro-phenyl)-butyric acid, Benzenepropanoic acid, beta-(aminomethyl)-4-chloro-, (R)-, Benzeneporopanoic acid, (beta-(aminomethyl)-4-chloro-, (betaR)-

Molecular Formula:	C₁₀H₁₂ClNO₂	Molecular Weight:	213.660780 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: KPYSYYIEGFHWSV-QMMMGPOBSA-N

• 2,3-Quinoxalinedione, 1,4-Dihydro-6-(1h-Imidazol-1-Yl)-7-Nitro-, Monohydrochloride

IUPAC Name: 6-imidazol-1-yl-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrochloride | CAS Registry Number: 154164-30-4
Synonyms: YM 90K, YM-90K, YM90K, ym 900, C11H7N5O4, YM-900, CID5486547, LS-173459, 6-(1H-Imidazol-1-yl)-7-nitro-2,3(1H,4H)-quinoxalinedione, 1,4-Dihydro-6-(1H-imidazol-1-yl)-7-nitro-2,3-quinoxalinedione monohydrochloride, 2,3-Quinoxalinedione, 1,4-dihydro-6-(1H-imidazol-1-yl)-7-nitro-, monohydrochloride

Molecular Formula:	C₁₁H₈ClN₅O₄	Molecular Weight:	309.665320 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: UMLFDVOHVJPDIZ-UHFFFAOYSA-N

• 1h-Imidazole, 1-[2-(4-Methoxyphenyl)-2-[3-(4-Methoxyphenyl)propoxy]ethyl]-, Monohydrochloride

IUPAC Name: 1-[2-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)propoxy]ethyl]imidazole hydrochloride | CAS Registry Number: 130495-35-1
Synonyms: Skf 96365, SKF-96365, Hydrochloride, S7809_SIGMA, CID104955, IN1088, SKF-96365, SK&F 96365, SK & F 96365, LS-183351, 1-(2-(3-(4-Methoxyphenyl)propoxy)-4-methoxyphenylethyl)-1H-imidazole hydrochloride, 1-[ beta-[3-(4-Methoxyphenyl)propoxy]- 4-methoxyphenethyl]-1H-imidazole, 1-[2-(4-Methoxyphenyl)-2-[3-(4-methoxyphenyl)propoxy]ethyl]imidazole, 1H-Imidazole, 1-(2-(4-methoxyphenyl)-2-(3-(4-methoxyphenyl)propoxy)ethyl)-, monohydrochloride, 1-[beta-(3-(4-Methoxyphenyl)propoxy)-4-methoxyphenethyl]-1H-imidazole hydrochloride, 1-[beta-[3-(4-Methoxyphenyl)propoxy]-4-methoxyphenethyl]-1H-imidazole, HCl

Molecular Formula:	C₂₂H₂₇ClN₂O₃	Molecular Weight:	402.914380 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: FWLPKVQUECFKSW-UHFFFAOYSA-N

• 2-Aminoacetic Acid

IUPAC Name: 2-aminoacetic acid | CAS Registry Number: 56-40-6
Synonyms: glycine, aminoacetic acid, Glycocoll, Aminoethanoic acid, Glycolixir, Glycosthene, Leimzucker, Glicoamin, Aciport, Amitone, Glycin, Padil, Aminoazijnzuur, polyglycine, Acetic acid, amino-, Corilin, Hampshire glycine, L-Glycine, 2-Aminoacetic acid, Sucre de gelatine

Molecular Formula:	C₂H₅NO₂	Molecular Weight:	75.066600 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: DHMQDGOQFOQNFH-UHFFFAOYSA-N

• 3-Methyl-6-(3-[trifluoromethyl]phenyl)-1,2,4-triazolo-(4,3-B)pyridazine

IUPAC Name: 3-methyl-6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[3,4-f]pyridazine | CAS Registry Number: 66548-69-4
Synonyms: Tocris-1709, MLS000860066, PDSP1_000634, PDSP1_001766, PDSP2_000629, PDSP2_001749, CL 218872, CL 218,872, NCGC00025269-01, SMR000326924, CL-218872, LS-186729, LS-187420, 1,2,4-Triazolo(4,3-b)pyridazine, 3-methyl-6-(3-(trifluoromethyl)phenyl)-, 3-Methyl-6-(3-(trifluoromethyl)phenyl)-1,2,4-triazolo(4,2-b)pyridazine, 3-Methyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazolo[4,3-b]pyridazine

Molecular Formula:	C₁₃H₉F₃N₄	Molecular Weight:	278.232570 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	7

InChIKey: GUOQUXNJZHGPQF-UHFFFAOYSA-N

• 8-Hydroxy-2-Dipropylaminotetralin Hydrobromide

IUPAC Name: 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrobromide | CAS Registry Number: 76135-31-4
Synonyms: (+/-)-8-Hydroxy-DPAT, CHEMBL505765, (+/-)-8-Hydroxy-2-(dipropylamino)tetralin hydrobromide, 1-Naphthalenol, 7-(dipropylamino)-5,6,7,8-tetrahydro-, hydrobromide, 87394-87-4, CHEBI:623912, (7S)-7-(DIPROPYLAMINO)-5,6,7,8-TETRAHYDRONAPHTHALEN-1-OL HYDROBROMIDE, 78095-20-2, 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol hydrobromide, AC1OCENU, 8-OH-dpat hydrobromide, 8-OH-DPAT HBr, 8-OH-DPAT HRr, EU-0100576, AGN-PC-00IQSU, ACMC-20ec94, H8520_ALDRICH, SureCN1682320, MLS000859968, H8520_SIGMA

Molecular Formula:	C₁₆H₂₆BrNO	Molecular Weight:	328.287740 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: BATPBOZTBNNDLN-UHFFFAOYSA-N

• 7-Chloro-4-hydroxy-3-(3-phenoxy)phenyl-2(1H)-quinolinone

IUPAC Name: 7-chloro-2-hydroxy-3-[3-(phenoxy)phenyl]-1H-quinolin-4-one | CAS Registry Number: 142326-59-8
Synonyms: Tocris-0907, Biomol-NT_000206, C21H14ClNO3, MLS000860076, MLS002153302, L0258_SIGMA, BPBio1_001264, L-701,324, NCGC00024864-01, NCGC00024864-02, SMR000326934, LS-173140, L 701324, L-701324, L 701,324, 7-Chloro-4-hydroxy-3-(3-phenoxy)phenyl-2(1H)-quinolone, 7-Chloro-4-hydroxy-3-(3-pheoxyphenyl)-2(1H)-quinolinone, 2(1H)-Quinolinone, 7-chloro-4-hydroxy-3-(3-pheoxyphenyl)-, 7-Chloro-4-hydroxy-3-(3-phenoxy)phenylquinolin-2[1H]-one

Molecular Formula:	C₂₁H₁₄ClNO₃	Molecular Weight:	363.793760 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: FLVRDMUHUXVRET-UHFFFAOYSA-N

• 5-(2-Chloroethyl)-4-Methylthiazole

IUPAC Name: 5-(2-chloroethyl)-4-methyl-1,3-thiazole | CAS Registry Number: 533-45-9
Synonyms: Clomethiazole, Chlormethiazole, Distraneurin, Chlormethiazol, Clomethiazol, Clomethiazolum, Clometiazole, Emineurina, Somnevrin, Chloraethiazol, Chlorethiazol, Chlorethiazole, Distraneurine, Clometiazol, Clometiazolo, Clometiazolo [DCIT], Distraneurine (TN), Clomethiazole (INN), Clomethiazole [INN], Chloro-S.C.T.Z

Molecular Formula:	C₆H₈ClNS	Molecular Weight:	161.652420 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: PCLITLDOTJTVDJ-UHFFFAOYSA-N

• 1-(3-Chlorophenyl)biguanide hydrochloride

IUPAC Name: [amino(diaminomethylideneazaniumyl)methylidene]-(3-chlorophenyl)azanium | CAS Registry Number: 2113-05-5
Synonyms: ZINC00089382

Molecular Formula:	C₈H₁₂ClN₅+₂	Molecular Weight:	213.667380 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	3

InChIKey: DIHXJZHAIHGSAW-UHFFFAOYSA-P

• 8-Cyclopentyl-1,3-Dipropylxanthine

IUPAC Name: 8-cyclopentyl-1,3-dipropyl-7H-purine-2,6-dione | CAS Registry Number: 102146-07-6
Synonyms: DPCPX, 1,3-Dpcpx, 8-Cyclopentyl-1,3-dipropylxanthine, Spectrum_000271, Tocris-0439, 1,3-dipropyl-8-cyclopentylxanthine, Lopac-C-101, Spectrum2_001808, Spectrum3_001073, Spectrum4_001228, Spectrum5_001887, [DPCPX], [3H]DPCPX, C101_SIGMA, Lopac0_000381, BSPBio_002686, KBioGR_001696, KBioSS_000751, MLS000069347, MLS001076525

Molecular Formula:	C₁₆H₂₄N₄O₂	Molecular Weight:	304.387360 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: FFBDFADSZUINTG-UHFFFAOYSA-N

• 3-Azaspiro[5.5]Undecane

IUPAC Name: 3-azaspiro[5.5]undecane | CAS Registry Number: 180-44-9
Synonyms: 3-azaspiro[5.5]undecane, 3-Azaspiro(5.5)undecane HCl, PubChem11406, AC1L9DJD, AC1Q1HIK, SureCN26952, 9-azaspiro[5.5]undecane, CTK0I1355, EINECS 214-404-1, AKOS011661718, LS40312, QC-9829, AK110290, KB-29876, BB 0261406, FT-0603838, EN300-64837, A18338

Molecular Formula:	C₁₀H₁₉N	Molecular Weight:	153.264560 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: LIZKZVQBLDHKCY-UHFFFAOYSA-N

• 4-Aminobutyric Acid

IUPAC Name: 4-aminobutanoic acid | CAS Registry Number: 56-12-2
Synonyms: 4-Aminobutanoic acid, 4-aminobutyric acid, Piperidic acid, Gammalon, Piperidinic acid, GABA, Gammalone, Mielomade, Aminalon, Gaballon, Gammasol, Mielogen, Gamarex, Gammar, gamma-aminobutyric acid, Reanal, 4-aminobutyrate, 4-aminobutanoate, Gamastan, Gammagee

Molecular Formula:	C₄H₉NO₂	Molecular Weight:	103.119760 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: BTCSSZJGUNDROE-UHFFFAOYSA-N

• 4-(amino-carboxy-methyl)-benzoic Acid

IUPAC Name: 4-(1-amino-2-hydroxy-2-oxoethyl)benzoic acid | CAS Registry Number: 7292-81-1
Synonyms: 4-carboxyphenylglycine, 4-Carboxylphenylglycine, 4-CPG, (S)-4-carboxyphenylglycine, C9H9NO4, NSC644612, NCI60_015099, LS-177006, Benzeneacetic acid, alpha-amino-4-carboxy-, (+-)-

Molecular Formula:	C₉H₉NO₄	Molecular Weight:	195.172060 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: VTMJKPGFERYGJF-UHFFFAOYSA-N

• 4-Hydroxy-But-2-Enoic Acid

IUPAC Name: (E)-4-hydroxybut-2-enoate | CAS Registry Number: 24587-49-3
Synonyms: ZINC03995631

Molecular Formula:	C₄H₅O₃-	Molecular Weight:	101.080700 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: RMQJECWPWQIIPW-OWOJBTEDSA-M

• 5-(2-Aminoethyl)-4-Methylthiazol-2-Amine

IUPAC Name: 5-(2-aminoethyl)-4-methyl-1,3-thiazol-2-amine | CAS Registry Number: 142437-67-0
Synonyms: Amthamine, Tocris-0668, CID126688, NCGC00024719-01, NCGC00024719-02, 5-Thiazoleethanamine, 2-amino-4-methyl-, 2-Amino-5-(2-aminoethyl)-4-methylthiazole

Molecular Formula:	C₆H₁₁N₃S	Molecular Weight:	157.236640 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: LHVRFUVVRXGZPV-UHFFFAOYSA-N

• 4-Hydroxyquinoline-2-carboxylic acid

IUPAC Name: 4-oxo-1H-quinoline-2-carboxylic acid | CAS Registry Number: 492-27-3
Synonyms: kynurenic acid, Kynurenate, Quinurenic acid, Kinurenic acid, Kynuronic acid, Kynurensaeure, Transtorine, 4-Hydroxyquinaldic acid, Acid, Kynurenic, 4-Hydroxyquinaldinic acid, KYNA, Quinaldic acid, 4-hydroxy-, Spectrum_001116, Tocris-0223, Spectrum2_001342, Spectrum3_001390, Spectrum4_000814, Spectrum5_001318, Lopac-K-3375, Biomol-NT_000229

Molecular Formula:	C₁₀H₇NO₃	Molecular Weight:	189.167480 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: HCZHHEIFKROPDY-UHFFFAOYSA-N

• 2h-3-Benzazepin-2-One, 3-[3-[[2-(3,4-Dimethoxyphenyl)ethyl]methylamino]propyl]-1,3,4,5-Tetrahydro-7,8-Dimethoxy-, Monohydrochloride

IUPAC Name: 3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one hydrochloride | CAS Registry Number: 91940-87-3
Synonyms: Zatebradine hydrochloride, Zatebradine HCl, UL-FS49, Z0127_SIGMA, UL-FS-49, 85175-67-3 (Parent), CID3045335, NCGC00092334-01, LS-182223, 2H-3-Benzazepin-2-one, 3-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylamino)propyl)-1,3,4,5-tetrahydro-7,8-dimethoxy-, monohydrochloride, 3-[3-[[2-(3,4-Dimethoxyphenyl)ethyl]methylamino]propyl]-1,3,4,5-tetrahydro-7,8-dimethoxy-2H-3-benzazepin-2-one hydrochloride

Molecular Formula:	C₂₆H₃₇ClN₂O₅	Molecular Weight:	493.035380 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: ZRNKXJHEQKMWCH-UHFFFAOYSA-N

• 2-Aminoethylsulphonic Acid

IUPAC Name: 2-aminoethanesulfonic acid | CAS Registry Number: 107-35-7
Synonyms: taurine, tauphon, 2-aminoethanesulfonic acid, L-Taurine, taufon, 2-Sulfoethylamine, O-Due, Taukard, Taurinum [Latin], Aminoethanesulfonic acid, Taurina [Spanish], Taurine [INN], 2-Aminoethylsulfonic acid, aminoethylsulfonic acid, Taurine (TN), beta-Aminoethylsulfonic acid, Taurine (8CI), aminoetylsulphonic acid, 2-aminoethyl sulfonate, ethylaminesulphonic acid

Molecular Formula:	C₂H₇NO₃S	Molecular Weight:	125.146880 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: XOAAWQZATWQOTB-UHFFFAOYSA-N

• 1-(3-Chlorophenyl) Piperazine HCl

IUPAC Name: 1-(3-chlorophenyl)piperazine hydrochloride | CAS Registry Number: 65369-76-8
Synonyms: m-CPP, C10H13ClN2.HCl, MLS001332529, MLS001332530, MLS002153364, 1-(3-Chlorophenyl)piperazine hydrochloride, 125180_ALDRICH, EINECS 235-976-9, 1-(3-Chlorophenyl)piperazinium chloride, EINECS 257-333-1, EINECS 265-718-0, NSC134746, SBB003261, SMR000875230, 1-(3-Chlorophenyl)piperazine monohydrochloride, Piperazine, 1-(3-chlorophenyl)-, monohydrochloride, LS-111322, TL8004644, 1-(3-Chlorophenyl)piperazine dihydrochloride, 1-(M-CHLOROPHENYL)PIPERAZINE HYDROCHLORIDE

Molecular Formula:	C₁₀H₁₄Cl₂N₂	Molecular Weight:	233.137560 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: MHXPYWFZULXYHT-UHFFFAOYSA-N

• 5alpha-Pregnan-3alpha-ol-20-one

IUPAC Name: 1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone | CAS Registry Number: 516-54-1
Synonyms: Allopregnanolone, Allopregnalone, 3alpha-OH-DHP, 3-alpha-OH DHP, Allotetrahydroprogesterone, Allopregnan-3alpha-ol-20-one, 3a,5a-THP, 3-alpha,5-alpha-Pregnanolone, Biomol-NT_000266, P8887_SIGMA, BPBio1_000728, CHEBI:50169, MolPort-003-892-356, 3-alpha-Hydroxy-5-alpha-pregnan-20-one, 5alpha pregnan 3alpha ol 20 one, 3-alpha,5-alpha-Tetrahydroprogesterone, C21H34O2, CID92786, BRN 3211363, LMST02030156

Molecular Formula:	C₂₁H₃₄O₂	Molecular Weight:	318.493460 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: AURFZBICLPNKBZ-SYBPFIFISA-N

• 1,2,4-Triazolo[4,3-B]pyridazine, 3-(2,5-Difluorophenyl)-7-(1,1-Dimethylethyl)-6-[(1-Methyl-1h-1,2,4-Triazol-5-Yl)methoxy]-

IUPAC Name: 7-tert-butyl-3-(2,5-difluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine | CAS Registry Number: 286456-42-6
Synonyms: L-838417, 3-(2,5-DIFLUOROPHENYL)-7-(1,1-DIMETHYLETHYL)-6-[(1-METHYL-1H-1,2,4-TRIAZOL-5-YL)METHOXY]-1,2,4-TRIAZOLO[4,3-B]PYRIDAZINE, SureCN249109, CHEMBL373250, CTK4G1825, CHEBI:435324, ZINC00602652, AG-E-92197, LS-192868, FT-0670901, L-838,417, 1,2,4-Triazolo[4,3-b]pyridazine,3-(2,5-difluorophenyl)-7-(1,1-dimethylethyl)-6-[(1-methyl-1H-1,2,4-triazol-5-yl)methoxy]-, 3-(2,5-Difluorophenyl)-7-(1,1-dimethylethyl)-6-[(1-methyl-1H-1,2,4,-triazol-5-yl)methoxy]-1,2,4-triazolo[4,3-b]pyridazine

Molecular Formula:	C₁₉H₁₉F₂N₇O	Molecular Weight:	399.397266 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	8

InChIKey: BQDUNOMMYOKHEP-UHFFFAOYSA-N

• (2s,4r)-4-Methylglutamic Acid

IUPAC Name: (2S,4R)-2-azaniumyl-4-methylpentanedioate | CAS Registry Number: 31137-74-3
Synonyms: ZINC00896091, ZINC01747050, CID6971091

Molecular Formula:	C₆H₁₀NO₄-	Molecular Weight:	160.147900 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: KRKRAOXTGDJWNI-DMTCNVIQSA-M

• 3-(N-Methylamino)-L-Alanine

IUPAC Name: (2S)-2-amino-3-(methylamino)propanoic acid | CAS Registry Number: 15920-93-1
Synonyms: L-Bmaa, BMAA, 3-Methylamino-L-alanine, 3-(Methylamino)-L-alanine, L-Alanine, 3-(methylamino)-, CHEBI:109383, MolPort-003-848-706, CID105089, (S)-2-Amino-3-methylamino-propionic acid, C08291

Molecular Formula:	C₄H₁₀N₂O₂	Molecular Weight:	118.134400 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: UJVHVMNGOZXSOZ-VKHMYHEASA-N

• (S)-2-Amino-2-methyl-4-phosphonobutanoic acid

IUPAC Name: (2S)-2-azaniumyl-2-methyl-4-phosphonatobutanoate | CAS Registry Number: 157381-42-5
Synonyms: ZINC02139818, ZINC02139819, CID1795544

Molecular Formula:	C₅H₁₀NO₅P-₂	Molecular Weight:	195.110361 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: HONKEGXLWUDTCF-YFKPBYRVSA-L