APAC Pharmaceutical, LLC

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Contact: Andy Yao
Web: http://www.apacpharma.com
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Profile: APAC Pharmaceutical, LLC is a custom chemical and cGMP manufacturing company. We provide chemistry & manufacturing solutions for specialty chemical, pharmaceutical and bio-tech companies. Our specialty product lines are specialty intermediates, metabolites, research reference standards, and drug like compound libraries. These products represent highly characterized compounds of drug substances, impurities, degradation products, metabolites and performance calibrators. Our products include fondaparinux sodium, 2,3,0-(3-pentylidene)-d-gluceraldhyde, 4, 4 -difluoro-cyclohexane carboxylic acid, 1,3,5-tris[(3,3,3-trifluoropropyl)methyl]cyclotrisiloxane, (s)-(-)-4-benzyl-2-oxazolidinone, d-(-)-2-aminobutylic acid, and (r)-tert-butanesulfinamide. We are also specialized in the research and production of synthetic peptides. We develop and manufacture custom peptides & custom cGMP peptides. We have a wide range of modified peptides such as those with unnatural amino acid, phosphorylation, terminal modifications and cyclization. We specialize in the modification of nucleosides and nucleotides. We offer a variety of modified and non-modified nucleoside/nucleotide as well as their analogs. We manufacture a variety of aromatic and unsaturated N, O, S heterocyclic ring including heteroaromatic synthons, complex heterocyclic systems & novel heteroaromatic compounds.

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• Perfluorotributylamine

IUPAC Name: 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)butan-1-amine | CAS Registry Number: 311-89-7
Synonyms: Fluosol 43, PFTBA, Fluorocarbon FC 43, Tris(nonafluorobutyl)amine, Fluorinert FC 43, Mediflor FC 43, Tri(perfluorobutyl)amine, Tri(nonafluorobutyl)amine, Tris(perfluorobutyl)amine, Fluorinert FC-43, FTBA, HEPTACOSAFLUOROTRIBUTYLAMINE, Tributylamine, heptacosafluoro-, FC 43, FC 47, HSDB 7103, 442747U_SUPELCO, H5262_SIGMA, Perfluorotributylamine (PFTBA), NSC 3501

Molecular Formula:	C₁₂F₂₇N	Molecular Weight:	671.091986 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	28

InChIKey: RVZRBWKZFJCCIB-UHFFFAOYSA-N

• Perflurooctanoic Acid

IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid | CAS Registry Number: 335-67-1
Synonyms: Perfluorocaprylic acid, Pentadecafluorooctanoic acid, PFOA, Perfluoroctanoic acid, PERFLUOROOCTANOIC ACID, Octanoic acid, pentadecafluoro-, Perfluoroheptanecarboxylic acid, Pentadecafluoro-1-octanoic acid, Pentadecafluoro-n-octanoic acid, Perfluoro-n-octanoic acid, CCRIS 4386, HSDB 7137, 171468_ALDRICH, CHEBI:35549, EINECS 206-397-9, NSC 95114, NSC95114, BRN 1809678, AI3-19341, LS-1215

Molecular Formula:	C₈HF₁₅O₂	Molecular Weight:	414.068388 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	17

InChIKey: SNGREZUHAYWORS-UHFFFAOYSA-N

• Phentolamine Mesylas

IUPAC Name: 3-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenol | CAS Registry Number: 50-60-2
Synonyms: phentolamine, Fentolamin, Regitine, Dibasin, Regitin, Regityn, phentolamine mesilate, Phentolamine mesylate, nchembio705-6, C 7337 Ciba, Spectrum_000077, Fentolamina [INN-Spanish], Phentolaminum [INN-Latin], Prestwick0_000230, Prestwick1_000230, Prestwick2_000230, Prestwick3_000230, Spectrum3_000788, Spectrum4_000899, Spectrum5_001704

Molecular Formula:	C₁₇H₁₉N₃O	Molecular Weight:	281.352260 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: MRBDMNSDAVCSSF-UHFFFAOYSA-N

• Phentolamine Mesylate

IUPAC Name: 3-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenol; methanesulfonic acid | CAS Registry Number: 65-28-1
Synonyms: Regitine, Phentolamine mesylate, phentolamine mesilate, Regitine mesylate, Regitin, Vasofem, Vasomax, OraVerse, Regitine (TN), Z-Max, Regitin methanesulphonate, Regitine methanesulfonate, Phentolamine methanesulfonate, Lopac-P-7561, Phentolamine methanesulphonate, Phentolamine mesylate [USAN], Phentolamine mesylate (USP), MLS000069487, MLS001076484, P7561_SIGMA

Molecular Formula:	C₁₈H₂₃N₃O₄S	Molecular Weight:	377.457920 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	7

InChIKey: OGIYDFVHFQEFKQ-UHFFFAOYSA-N

• Phenyl Ethyl Isovalerate

IUPAC Name: 2-phenylethyl 3-methylbutanoate | CAS Registry Number: 140-26-1
Synonyms: Phenethyl isovalerate, Phenylethyl isovalerate, Phenethyl isovalerianate, Phenethyl isopentanoate, Benzylcarbinyl isovalerate, 2-Phenylethyl isovalerate, Phenethyl 3-methylbutyrate, Benzylcarbinyl isopentanoate, Phenylethyl 3-methylbutyrate, 2-Phenylethyl 3-methylbutanoate, beta-Phenylethyl isovalerate, FEMA No. 2871, 2-Phenylethyl 3-methylbutirate, Phenethyl isovalerate (natural), Benzylcarbinyl 3-methylbutanoate, ISOVALERIC ACID, PHENETHYL ESTER, Benzyl carbinyl isovalerianate, W287105_ALDRICH, .beta.-Phenylethyl isovalerate, EINECS 205-406-3

Molecular Formula:	C₁₃H₁₈O₂	Molecular Weight:	206.280820 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: JIMGVOCOYZFDKB-UHFFFAOYSA-N

• Phloroglucinol

IUPAC Name: benzene-1,3,5-triol | CAS Registry Number: 108-73-6
Synonyms: phloroglucinol, 1,3,5-benzenetriol, Phloroglucine, Phloroglucin, Spasfon-Lyoc, 1,3,5-trihydroxybenzene, Benzene-s-triol, Dilospan S, 5-Oxyresorcinol, s-Trihydroxybenzene, 5-Hydroxyresorcinol, Benzene, trihydroxy, sym-Trihydroxybenzene, 3,5-Dihydroxyphenol, 5-Benzenetriol, Floroglucin [Czech], Benzene-1,3,5-triol, Floroglucinol [Czech], Dilospan S (TN), 1,3,5-Triol

Molecular Formula:	C₆H₆O₃	Molecular Weight:	126.110040 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: QCDYQQDYXPDABM-UHFFFAOYSA-N

• Piperazine-2-Carboxylic Acid Dihydrochloride

IUPAC Name: (2S)-piperazine-1,4-diium-2-carboxylate | CAS Registry Number: 3022-15-9
Synonyms: ZINC03860731

Molecular Formula:	C₅H₁₁N₂O₂+	Molecular Weight:	131.153040 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: JSSXHAMIXJGYCS-BYPYZUCNSA-O

• Piperine

IUPAC Name: (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one | CAS Registry Number: 94-62-2
Synonyms: piperine, 1-Piperoylpiperidine, Piperin, Bioperine, Piperoylpiperidine, Piperine (aliphatic), 1-Piperoyl-piperidine, Prestwick_398, piperine, (E,E)-isomer, Prestwick2_000474, Prestwick3_000474, Spectrum5_001507, piperine, (E,Z)-isomer, piperine, (Z,E)-isomer, piperine, (Z,Z)-isomer, FEMA No. 2909, CCRIS 5572, N-[(E,E)-Piperoyl]piperidine, (E,E)-1-piperoylpiperidine, 1-Piperoylpiperidine, (E,E)-

Molecular Formula:	C₁₇H₁₉NO₃	Molecular Weight:	285.337660 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: MXXWOMGUGJBKIW-YPCIICBESA-N

• Piperonyl Butoxide

IUPAC Name: 5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole | CAS Registry Number: 51-03-6
Synonyms: PIPERONYL BUTOXIDE, Butacide, Butocide, Ethanol butoxide, Butoxide, Scourge, Nusyn-noxfish, Piperonylbutoxide, Alleviate, Obilique, Pybuthrin, Raid, Pyrenone 606, Synpren-fish, Mixture Name, Butoxide (synergist), :piperonyl butoxide, Butoxide, Piperonyl, Caswell No. 670, Anvil 2+2 ULV

Molecular Formula:	C₁₉H₃₀O₅	Molecular Weight:	338.438500 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: FIPWRIJSWJWJAI-UHFFFAOYSA-N

• Polydatin

IUPAC Name: (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | CAS Registry Number: 27208-80-6
Synonyms: Piceid, Ambap3820, 3,4,5-Tsg, MLS000759499, MLS001424114, 572691_ALDRICH, Resveratrol 3-beta-mono-D-glucoside, AIDS070480, AIDS-070480, CID5281718, 3,5,4'-Trihydroxystilbene 3-glucoside, CPD000466371, SAM001246720, SMR000466371, 3,4,5-Trihydroxystilbene-3-beta-monoglucoside, C10275, 3,4'-5-Trihydroxystilbene-3-beta-D-glucopyranoside, 3-Hydroxy-5-(2-(4-hydroxyphenyl)ethenyl)phenyl-beta-D-glucoside, beta-D-Glucopyranoside, 3-hydroxy-5-(2-(4-hydroxyphenyl)ethenyl)phenyl, beta-D-Glucopyranoside, 3-hydroxy-5-(2-(4-hydroxyphenyl)ethenyl)phenyl-, (E)-

Molecular Formula:	C₂₀H₂₂O₈	Molecular Weight:	390.383880 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	8

InChIKey: HSTZMXCBWJGKHG-CUYWLFDKSA-N

• Polyinosinic Acid

IUPAC Name: [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate | CAS Registry Number: 30918-54-8
Synonyms: Inosinic acid, 5'-inosinic acid, inosine monophosphate, 5'-inosinate, inosine 5'-phosphate, inosinate, Polyinosine, PolyI, inosine 5'-monophosphate, Polyinosinic acid, Oligoinosinic acid, Polyinosinic acids, 1yfz, 5'-inosine monophosphate, Poly(rI), 5'-IMP, Polyriboinosinic acid, inosine-5'-phosphate, Inosine polynucleotides, 1g9s

Molecular Formula:	C₁₀H₁₃N₄O₈P	Molecular Weight:	348.205981 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	11

InChIKey: GRSZFWQUAKGDAV-KQYNXXCUSA-N

• Potassium Acesulphame

IUPAC Name: potassium 3-methyl-5,5-dioxo-4-oxa-5$l^{6}-thia-6-azanidacyclohex-2-en-1-one | CAS Registry Number: 55589-62-3
Synonyms: Acesulfame K, Acesulfame-K, Acesulfame potassium, 47134_SUPELCO, 04054_FLUKA, NCGC00090729-01, 6-Methyl-1,2,3-oxathiazin-4(3H)-one 2,2-dioxide potassium salt, potassium 6-methyl-4-oxo-4H-1,2,3-oxathiazin-3-ide 2,2-dioxide

Molecular Formula:	C₄H₄KNO₄S	Molecular Weight:	201.242160 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: WBZFUFAFFUEMEI-UHFFFAOYSA-M

• Potassium D-(-)-N-(1-methoxycarbonylpropen-2-yl)amino-4-hydroxyphenylacetate

IUPAC Name: potassium 2-(4-hydroxyphenyl)-2-[[(Z)-4-methoxy-4-oxobut-2-en-2-yl]amino]acetate | CAS Registry Number: 69416-61-1
Synonyms: EINECS 273-992-8, CID6435069, Potassium (R)-(4-hydroxyphenyl)((3-methoxy-1-methyl-3-oxoprop-1-enyl)amino)acetate, A-((3-METHOXY-1-METHYL-3-OXO-1-PROPENYL)AMINO)-4-HYDROXY-BENZENE ACETIC ACID POT

Molecular Formula:	C₁₃H₁₄KNO₅	Molecular Weight:	303.352260 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: HFDVONAPNRXRSV-CFYXSCKTSA-M

• Praziquantel

IUPAC Name: 2-(cyclohexanecarbonyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one | CAS Registry Number: 55268-74-1
Synonyms: praziquantel, Biltricide, Droncit, Pyquiton, Drontal, Vercom, Drontal Plus, Prasiquantel, Traziquantel, Drontsit, Azinox, Cutter, Cesol, Cutter Tape Tabs, Mixture Name, Biltricide (TN), Prestwick_402, Embay 8440, Spectrum_001119, Praziquantelum [INN-Latin]

Molecular Formula:	C₁₉H₂₄N₂O₂	Molecular Weight:	312.406060 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: FSVJFNAIGNNGKK-UHFFFAOYSA-N

• Prednisolone Acetate

IUPAC Name: [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate | CAS Registry Number: 52-21-1
Synonyms: Econopred, Pricortin, prednisolone acetate, Prediacortine, Prednidoren, Supercortyl, Cormalone, Cortipred, Predicort, Deltilen, Durapred, Nisolone, Prenema, Pred Forte, Prednelan-N, Mydrapred, Metimyd, Delcort-E, Pred Mild, Isopto Cetapred

Molecular Formula:	C₂₃H₃₀O₆	Molecular Weight:	402.480700 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: LRJOMUJRLNCICJ-JZYPGELDSA-N

• Procyanidin B2

IUPAC Name: (2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol | CAS Registry Number: 29106-49-8
Synonyms: Proanthocyanidin, Procyanidol B2, Procyanidin B-2, Proanthocyanidin B2, (+)-Procyanidin B2, 2,3-cis-proanthocyanidin, 4,8"-Bi-[(+)-epicatechin, 42157_FLUKA, CHEBI:156078, AIDS013365, AIDS-013365, CPD-1981, CID122738, LMPK12030002, NSC623097, NSC 623097, (-)-Epicatechin-(4.beta.-8)-(-)-epicatechin, cis,cis"-4,8"-Bi(3,3',4',5,7-pentahydroxyflavane), (2R,3R,4R,2'R,3'R)-2,2'-Bis-(3,4-dihydroxy-phenyl)-3,4,3',4'-tetrahydro-2H,2'H-[4,8']bichromenyl-3,5,7,3',5',7'-hexaol, (2R-(2alpha,3alpha,4beta(2'R*,3'R*)))-2,2'-Bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-(4,8'-Bi-2H-1-benzopyran)-3,3',5,5',7,7'-hexol

Molecular Formula:	C₃₀H₂₆O₁₂	Molecular Weight:	578.520240 [g/mol]
H-Bond Donor:	10	H-Bond Acceptor:	12

InChIKey: XFZJEEAOWLFHDH-NFJBMHMQSA-N

• Procymidone

IUPAC Name: 3-(3,5-dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione | CAS Registry Number: 32809-16-8
Synonyms: Dicyclidine, Sumisclex, Sumilex, PROCYMIDONE, Procymidon, Procymidox, Procymidone [BSI:ISO], CBDivE_013932, 36640_RIEDEL, EINECS 251-233-1, BRN 1539058, SP 751011, NCGC00091017-01, NCGC00091017-02, BAS 00444585, LS-58773, S 7131, C10986, S-7131, 5-21-10-00069 (Beilstein Handbook Reference)

Molecular Formula:	C₁₃H₁₁Cl₂NO₂	Molecular Weight:	284.137940 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: QXJKBPAVAHBARF-UHFFFAOYSA-N

• Progesterone

IUPAC Name: (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one | CAS Registry Number: 57-83-0
Synonyms: progesterone, Crinone, Luteohormone, Progesteronum, Syngesterone, Prometrium, Utrogestan, Cyclogest, Progestin, Agolutin, Glanducorpin, Hormoflaveine, Methylpregnone, Pregnenedione, Progestasert, Progestronol, Flavolutan, Gestormone, Gynolutone, Hormoluton

Molecular Formula:	C₂₁H₃₀O₂	Molecular Weight:	314.461700 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: RJKFOVLPORLFTN-LEKSSAKUSA-N

• Propafenone HCl

IUPAC Name: 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one hydrochloride | CAS Registry Number: 34183-22-7
Synonyms: Rythmol, Rytmonorm, Baxarytmon, Rhythmonorm, Fenoprain, Rythmol SR, Pronon, PROPAFENONE HYDROCHLORIDE, Prestwick_831, Rythmol (TN), Propafenone hydrochloirde, C21H27NO3.HCl, MLS000069682, MLS001148185, Propafenon hydrochlorid [German], SPECTRUM1503935, SA 79, EINECS 251-867-9, WZ 884, Propafenone hydrochloride [USAN:JAN]

Molecular Formula:	C₂₁H₂₈ClNO₃	Molecular Weight:	377.904920 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: XWIHRGFIPXWGEF-UHFFFAOYSA-N

• Propargite

IUPAC Name: [2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite | CAS Registry Number: 2312-35-8
Synonyms: propargite, Cyclosulfyne, Comite, Omait, BPPS, OMITE, Uniroyal D014, Naugatuck D-014, Omite 57E, Omite 85E, Caswell No. 130I, Spectrum_001925, SpecPlus_000556, U.S. Rubber D-014, Spectrum2_001875, Spectrum3_000858, Spectrum4_000698, Spectrum5_002034, PS858_SUPELCO, Propargite [ANSI:BSI:ISO]

Molecular Formula:	C₁₉H₂₆O₄S	Molecular Weight:	350.472340 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: ZYHMJXZULPZUED-UHFFFAOYSA-N

• PVP-Iodine

IUPAC Name: 1-ethenylpyrrolidin-2-one; molecular iodine | CAS Registry Number: 25655-41-8
Synonyms: Isobetadyne, Betadine, Povadyne, Ultradine, Bridine, Disphex, Isodine, Povidone iodine, Povidone-iodine, Efo-dine, PVP iodine, Povadyne antiseptic, PVP-I, PVP1_SIGMA, Iodopoly(vinyl pyrrolidinone), Iodine-poly(vinylpyrrolidinone), Poly(vinylpyrrolidinone) iodide, Iodinated poly(vinylpyrrolidone), NSC26245, AIDS000368

Molecular Formula:	C₆H₉I₂NO	Molecular Weight:	364.950700 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: CPKVUHPKYQGHMW-UHFFFAOYSA-N

• Pyrazine-2-carbaldehyde

IUPAC Name: 3-methyl-1-(phenylmethyl)piperidin-4-one | CAS Registry Number: 34737-89-8
Synonyms: ChemDiv2_002451, Oprea1_418023, 1-Benzyl-3-methyl-4-piperidone, ZERO/001512, 4-Piperidone, 1-benzyl-3-methyl-, EINECS 252-176-5, 4-Piperidinone, 3-methyl-1-(phenylmethyl)-

Molecular Formula:	C₁₃H₁₇NO	Molecular Weight:	203.280180 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: OVQAJYCAXPHYNV-UHFFFAOYSA-N

• Pyridostigmine Bromide

IUPAC Name: (1-methylpyridin-1-ium-3-yl) N,N-dimethylcarbamate bromide | CAS Registry Number: 101-26-8
Synonyms: Mestinon, Kalimin, Kalymin, Regonal, Regonol, Mestinon bromide, pyridostigmine, PYRIDOSTIGMINE BROMIDE, Mestinon (TN), Piridostigmina bromuro [DCIT], CCRIS 6798, HSDB 3924, MLS000028385, MLS001074080, P9797_SIGMA, SPECTRUM1503240, C9H13N2O2, EINECS 202-929-9, Pyridostigmini bromidum [INN-Latin], Ro 1-5130

Molecular Formula:	C₉H₁₃BrN₂O₂	Molecular Weight:	261.115720 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: VNYBTNPBYXSMOO-UHFFFAOYSA-M

• Pyrimethamine

IUPAC Name: 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine | CAS Registry Number: 58-14-0
Synonyms: pyrimethamine, Daraprim, Chloridin, Ethylpyrimidine, Chloridine, Pirimetamin, Malocide, Diaminopyritamin, Erbaprelina, Pirimecidan, Pirimetamina, Chloridyn, Darachlor, Khloridin, Tindurin, Malocid, Primethamine, Pyremethamine, Pyrimethamin, Daraclor

Molecular Formula:	C₁₂H₁₃ClN₄	Molecular Weight:	248.711420 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: WKSAUQYGYAYLPV-UHFFFAOYSA-N

• Pyrogallic Acid

IUPAC Name: benzene-1,2,3-triol | CAS Registry Number: 87-66-1
Synonyms: pyrogallol, pyrogallic acid, 1,2,3-benzenetriol, fourrine PG, Pyro, 1,2,3-trihydroxybenzene, fourrine 85, Fouramine Brown AP, Piral, gallamine, fouramine base ap, acid, Pyrogallic, benzene-1,2,3-triol, Pyrogallol polymer, Pyrogallol solution, C.I. Oxidation Base 32, PYROP, Pyrogallol [NF X], CI Oxidation Base 32, 1,2,3-Trihydroxybenzen

Molecular Formula:	C₆H₆O₃	Molecular Weight:	126.110040 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: WQGWDDDVZFFDIG-UHFFFAOYSA-N

• Pyromellitic Acid

IUPAC Name: benzene-1,2,4,5-tetracarboxylic acid | CAS Registry Number: 89-05-4
Synonyms: PYROMELLITIC ACID, USAF XR-20, 1,2,4,5-Benzenetetracarboxylic acid, Pyromellitic acid hydrate, 1,2,4,5-Tetracarboxybenzene, B4007_ALDRICH, WLN: QVR BVQ DVQ EVQ, Buffer solution HPCE pH 7.7, NSC 6369, 82619_FLUKA, 83179_FLUKA, EINECS 201-879-5, CID6961, NSC6369, AIDS018150, 1,2,4,5-Benzene-tetracarboxylic acid, AIDS-018150, Sodium pyromellitate buffer solution, BRN 1887659, AI3-28523

Molecular Formula:	C₁₀H₆O₈	Molecular Weight:	254.149840 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	8

InChIKey: CYIDZMCFTVVTJO-UHFFFAOYSA-N

• Quinolinic Acid

IUPAC Name: pyridine-2,3-dicarboxylic acid | CAS Registry Number: 89-00-9
Synonyms: quinolinic acid, quinolinate, 2,3-pyridinedicarboxylic acid, Pyridine-2,3-dicarboxylic acid, pyridine-2,3-carboxylate, Spectrum_001525, Tocris-0225, Pyridine-2,3-dicarboxylate, pyridine carboxylate, 6c, Spectrum2_000929, Spectrum3_001502, Spectrum4_000336, Spectrum5_001170, 2,3-pyridinedicarboxylate, Lopac-P63204, 3,4-Pyridinedicarboxylic acid, Lopac0_000989, Oprea1_139764, Pyridine-3,4-dicarboxylic acid, BSPBio_003143

Molecular Formula:	C₇H₅NO₄	Molecular Weight:	167.118900 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: GJAWHXHKYYXBSV-UHFFFAOYSA-N

• R-(+)-Propylenediamine Dihydrochloride

IUPAC Name: (2R)-propane-1,2-diamine;dihydrochloride | CAS Registry Number: 19777-67-4
Synonyms: (R)-(+)-1,2-Diaminopropane dihydrochloride, (R)-1,2-Diaminopropane 2HCl, (R)-1,2-Diaminopropane Dihydrochloride, (R)-(+)-Propylenediamine dihydrochloride, ST51037664, 1,2-Propanediamine dihydrochloride, (R)-1,2-Diaminopropane Di hydrochloride, 412554_ALDRICH, 82253_FLUKA, CTK8B1122, MolPort-003-932-227, ACT06789, (R)-Propylenediamine Dihydrochloride, ANW-23771, AKOS015845557, AKOS016015887, AG-E-44412, RP21113, (R)-1,2-Propanediamine Dihydrochloride, AK-45035

Molecular Formula:	C₃H₁₂Cl₂N₂	Molecular Weight:	147.046780 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	2

InChIKey: AEIAMRMQKCPGJR-HWYNEVGZSA-N

• Rafoxanide

IUPAC Name: N-[3-chloro-4-(4-chlorophenoxy)phenyl]-2-hydroxy-3,5-diiodobenzamide | CAS Registry Number: 22662-39-1
Synonyms: Flukanide, Bovanide, Disalan, Duofas, Ranide, RAFOXANIDE, Ranide, veterinary, Rafoxanid, Rafoxanidum [INN-Latin], Rafoxanida [INN-Spanish], Rafoxanide (USAN/INN), Rafoxanide [USAN:BAN:INN], MK-990, MLS001240273, C19H11Cl2I2NO3, EINECS 245-148-9, NSC355278, AIDS129585, NSC 355278, AIDS-129585

Molecular Formula:	C₁₉H₁₁Cl₂I₂NO₃	Molecular Weight:	626.010480 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: NEMNPWINWMHUMR-UHFFFAOYSA-N

• Raloxifene

IUPAC Name: [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone | CAS Registry Number: 84449-90-1
Synonyms: raloxifene, Keoxifene, Raloxifene Hcl, Raloxifenum [Latin], Raloxifeno [Spanish], nchembio.76-comp4, Keoxifene hydrochloride, nchembio.140-comp6, Raloxifene [INN:BAN], Prestwick0_000862, Prestwick1_000862, Prestwick2_000862, Prestwick3_000862, Lopac-R-1402, RALOXIFENE HYDROCHLORIDE, CCRIS 7129, Lopac0_001051, BSPBio_000903, KBioGR_002361, KBioSS_002364

Molecular Formula:	C₂₈H₂₇NO₄S	Molecular Weight:	473.583280 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: GZUITABIAKMVPG-UHFFFAOYSA-N

• Resveratrol

IUPAC Name: 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol | CAS Registry Number: 501-36-0
Synonyms: resveratrol, trans-resveratrol, (E)-resveratrol, 3,4',5-Stilbenetriol, 3,4',5-Trihydroxystilbene, Prestwick_619, 3,5,4'-Trihydroxystilbene, nchembio.140-comp2, Prestwick2_000508, Prestwick3_000508, Spectrum5_000552, Lopac0_001111, BSPBio_000435, BSPBio_001114, BSPBio_003461, 3,4',5-trihydroxy-stilbene, MLS000069735, MLS001055357, MLS001076538, R5010_SIGMA

Molecular Formula:	C₁₄H₁₂O₃	Molecular Weight:	228.243280 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: LUKBXSAWLPMMSZ-OWOJBTEDSA-N

• Riboflavin

IUPAC Name: 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione | CAS Registry Number: 83-88-5
Synonyms: riboflavin, Lactoflavin, vitamin B2, Riboflavine, Beflavin, Flavaxin, Fiboflavin, Lactoflavine, Ribocrisina, Vitaflavine, Beflavine, Bisulase, Dermadram, Hyflavin, Lactobene, Riboderm, Ribotone, Flaxain, Ribipca, Ribosyn

Molecular Formula:	C₁₇H₂₀N₄O₆	Molecular Weight:	376.363900 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	8

InChIKey: AUNGANRZJHBGPY-SCRDCRAPSA-N

• Ricobendazole Ybp

IUPAC Name: methyl N-(6-propylsulfinyl-1H-benzimidazol-2-yl)carbamate | CAS Registry Number: 54029-12-8
Synonyms: Ricobendazole, Rycobendazole, Albendazole oxide, Albendazole sulfoxide, Albendazole S-oxide, Albendazole sulphoxide, (+-)-Albendazole sulfoxide, Albendazole oxide (INN), ALBENDAZOLE-S-OXIDE, Albendazole oxide [BAN:INN], Albendazole oxyde [INN-French], Albendazolum oxidum [INN-Latin], Oxido de albendazol [INN-Spanish], C12H15N3O3S, CHEBI:16959, AIDS072409, AIDS-072409, RS 8852, albendazole sulfoxide, monohydrochloride, LS-175527

Molecular Formula:	C₁₂H₁₅N₃O₃S	Molecular Weight:	281.330800 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: VXTGHWHFYNYFFV-UHFFFAOYSA-N

• Rimantadine Hydrochloride

IUPAC Name: 1-(1-adamantyl)ethanamine hydrochloride | CAS Registry Number: 1501-84-4
Synonyms: Flumadine, Meradane, rimantadine, Rimantadine hydrochloride, Remantadine, Meradan, Oclovir, Roflual, Rimantadine HCL, Flumadine (TN), Remantadine hydrochloride, EXP 126, C12H21N.HCl, JP 61, 1-Adamantan-1-yl-ethylamine, MLS000069661, MLS000332981, Rimantadine hydrochloride [USAN], 390593_ALDRICH, EXP-126

Molecular Formula:	C₁₂H₂₂ClN	Molecular Weight:	215.762780 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	1

InChIKey: OZBDFBJXRJWNAV-UHFFFAOYSA-N

• Rosmarinic Acid

IUPAC Name: (2S)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid | CAS Registry Number: 537-15-5
Synonyms: Rosmarinate, rosmarinic acid, CHEBI:50372, CID639655, C01850, 3-(3,4-Dihydroxy-phenyl)-acrylic acid 1-carboxy-2-(3,4-dihydroxy-phenyl)-ethyl ester, 3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid, (2S)-3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic acid, benzenepropanoic acid, alpha-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-3,4-dihydroxy-, InChI=1/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3

Molecular Formula:	C₁₈H₁₆O₈	Molecular Weight:	360.314840 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	8

InChIKey: DOUMFZQKYFQNTF-GIZXNFQBSA-N

• Rutoside (Vitamin P)

IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one | CAS Registry Number: 153-18-4
Synonyms: RUTIN, rutoside, Phytomelin, Sophorin, Birutan, Eldrin, Birutan Forte, Rutin trihydrate, Globularicitrin, Violaquercitrin, Bioflavonoid, Ilixanthin, Myrticolorin, Paliuroside, Troxerutin, Osyritrin, Oxyritin, Rutabion, Rutosido, Rutosidum

Molecular Formula:	C₂₇H₃₀O₁₆	Molecular Weight:	610.517500 [g/mol]
H-Bond Donor:	10	H-Bond Acceptor:	16

InChIKey: IKGXIBQEEMLURG-NVPNHPEKSA-N

• S-(-)-Propylenediamine Dihydrochloride

IUPAC Name: (2S)-propane-1,2-diamine;dihydrochloride | CAS Registry Number: 19777-66-3
Synonyms: (S)-(-)-1,2-Diaminopropane dihydrochloride, (S)-Propane-1,2-diamine dihydrochloride, (S)-1,2-Diaminopropane Dihydrochloride, (S)-1,2-Propanediamine dihydrochloride, PubChem15232, KSC174S8R, 412562_ALDRICH, (S)-1,2-Diaminopropane 2HCl, CTK0H4988, MolPort-003-932-228, ACT04807, (S)-Propylenediamine Dihydrochloride, ANW-23770, S-(-)-propylenediaminedihydrochloride, AKOS007930112, AKOS015894250, AG-E-44411, RP21112, (S)-PROPANE-1,2-DIAMINE 2HCL, (S)-(-)-Propylenediamine dihydrochloride

Molecular Formula:	C₃H₁₂Cl₂N₂	Molecular Weight:	147.046780 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	2

InChIKey: AEIAMRMQKCPGJR-QTNFYWBSSA-N

• Saikosaponin C

Synonyms: CID3037094, beta-D-Glucopyranoside, (3beta,4alpha,16beta)-13,28-epoxy-16,23-dihydroxyolean-11-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-6)-

Molecular Formula:	C₄₈H₇₈O₁₇	Molecular Weight:	927.122720 [g/mol]
H-Bond Donor:	11	H-Bond Acceptor:	17

InChIKey: IUZOALRTJNKYRZ-ANYCVEQWSA-N

• Salbutamol

IUPAC Name: 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol | CAS Registry Number: 18559-94-9
Synonyms: albuterol, Proventil, Broncovaleas, Levalbuterol, Novosalmol, Salbuhexal, Salbutalan, Servitamol, Ventiloboi, Ventodisks, Asthalin, Butohaler, Butovent, Buventol, Cobutolin, Dilatamol, Farcolin, Gerivent, Grafalin, Libretin

Molecular Formula:	C₁₃H₂₁NO₃	Molecular Weight:	239.310740 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	4

InChIKey: NDAUXUAQIAJITI-UHFFFAOYSA-N

• Schisandrin A

Synonyms: Deoxyschisandrin, Schizandrin A, CID43595, NCGC00163662-01, LS-60866, Dibenzo(a,c)cyclooctene, 5,6,7,8-tetrahydro-6,7-dimethyl-1,2,3,10,11,12-hexamethoxy-, Dibenzo(a,c)cyclooctene, 5,6,7,8-tetrahydro-1,2,3,10,11,12-hexamethoxy-6,7-dimethyl-, stereoisomer

Molecular Formula:	C₂₄H₃₂O₆	Molecular Weight:	416.507280 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: JEJFTTRHGBKKEI-UHFFFAOYSA-N

• Schisantherin A

Synonyms: Gomisin C, CHEBI:522225, CID151529, C10881, (5S-(5alpha,6beta,7beta))-5,6,7,8-Tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethylbenzo(3,4)cycloocta(1,2-f)(1,3)benzodioxole-5,6-diol 5-benzoate, Benzo(3,4)cycloocta(1,2-f)(1,3)benzodioxole-5,6-diol, 5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, 5-benzoate, (5S-(5alpha,6beta,7beta))-

Molecular Formula:	C₃₀H₃₂O₉	Molecular Weight:	536.569680 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	9

InChIKey: UFCGDBKFOKKVAC-DSASHONVSA-N

• Scoparone

IUPAC Name: 6,7-dimethoxychromen-2-one | CAS Registry Number: 120-08-1
Synonyms: Scoparon, 6,7-Dimethylesculetin, Escoparone, 6,7-DIMETHOXYCOUMARIN, Esculetin dimethyl ether, Aesculetin dimethyl ether, Coumarin, 6,7-dimethoxy-, Scopoletin methyl ether, Maybridge4_003009, 6,7-Dimethoxy-2-benzopyrone, 6,7-Dimethoxybenzopyran-2-one, 254886_ALDRICH, MEGxp0_001422, ACon1_002079, EINECS 204-369-0, 6,7-Dimethoxy-2H-1-benzopyran-2-one, CID8417, AIDS026315, 6,7-Dimethoxy-2H-chromen-2-one, AIDS-026315

Molecular Formula:	C₁₁H₁₀O₄	Molecular Weight:	206.194700 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: GUAFOGOEJLSQBT-UHFFFAOYSA-N

• Scutellarein

IUPAC Name: 5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one | CAS Registry Number: 529-53-3
Synonyms: Isocarthamidin, Flavonoid, 6-Hydroxyapigenin, 4',5,6,7-Tetrahydroxyflavanone, AIDS000486, AIDS-000486, ZINC00899075, CID5281697, LS-39816, ST5331621, C10184, 4H-1-Benzopyran-4-one, 5,6,7-trihydroxy-2-(4-hydroxyphenyl)-, 5,6,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

Molecular Formula:	C₁₅H₁₀O₆	Molecular Weight:	286.236300 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	6

InChIKey: JVXZRQGOGOXCEC-UHFFFAOYSA-N

• Securinine

Synonyms: Virosecurinine, Securinin, Securinan-11-one, Securinine, (-)-, Spectrum2_000669, Spectrum3_001977, UPCMLD-DP039, BSPBio_003577, SPECTRUM1505334, SPBio_000737, UPCMLD-DP039:001, KBio3_002957, AIDS002233, AIDS-002233, NSC107413, NSC107414, SBB005941, NCGC00142506-01, NCGC00142506-03, NCGC00142506-04

Molecular Formula:	C₁₃H₁₅NO₂	Molecular Weight:	217.263700 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: SWZMSZQQJRKFBP-WZRBSPASSA-N

• Sennoside A

IUPAC Name: (9R)-9-[(9R)-2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid | CAS Registry Number: 81-27-6
Synonyms: Senokot, Sennae folium, sennoside, Senna extract, Senna (powdered), SENNA, Senokot (TN), Senna (USP), Senna extract (JAN), Ambap5207, CCRIS 7489, MEGxp0_001902, ACon0_001464, EINECS 201-339-9, NSC 112929, C42H38O20, LMPK02000045, LS-2309, SMP1_000271, LS-177600

Molecular Formula:	C₄₂H₃₈O₂₀	Molecular Weight:	862.739120 [g/mol]
H-Bond Donor:	12	H-Bond Acceptor:	20

InChIKey: IPQVTOJGNYVQEO-KGFNBKMBSA-N

• Sesamin

IUPAC Name: 5-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-1-yl]-1,3-benzodioxole | CAS Registry Number: 607-80-7
Synonyms: sesamin, Asarinin, Fagarol, Sezamin, Episesamin, d-Sesamin, (+)-Sesamin, D-(+)-Sesamin, (+)-Segamin, Ambap957, PSEUDO CUBEBIN, MLS000728578, S9314_SIGMA, ACon0_000323, ACon1_002421, NSC 36403, AIDS002473, AIDS-002473, C20H18O6, CID72307

Molecular Formula:	C₂₀H₁₈O₆	Molecular Weight:	354.353320 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: PEYUIKBAABKQKQ-AFHBHXEDSA-N

• Sesamol

IUPAC Name: 1,3-benzodioxol-5-ol | CAS Registry Number: 533-31-3
Synonyms: 1,3-Benzodioxol-5-ol, sesamol lithium, sesamol sodium, 5-Benzodioxolol, 3,4-Methylenedioxyphenol, 3,4-(Methylenedioxy)phenol, Phenol, 3,4-(methylenedioxy)-, sesamol, ion (1+), 5-Hydroxy-1,3-benzodioxole, sesamol titanium (+4), Methylene ether of oxyhydroquinone, CCRIS 1386, S3003_ALDRICH, S8518_SIGMA, C7H6O3, 85070_FLUKA, EINECS 208-561-5, NSC 59256, WLN: T56 BO DO CHJ GQ, CID68289

Molecular Formula:	C₇H₆O₃	Molecular Weight:	138.120740 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: LUSZGTFNYDARNI-UHFFFAOYSA-N

• Sildenafil

IUPAC Name: 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one | CAS Registry Number: 139755-83-2
Synonyms: sildenafil, Sildenafil citrate, 1udt, 1xos, VIAGRA, Ambap1012, Spectrum_001555, SpecPlus_000798, Sildenafil [INN:BAN], Spectrum2_001648, Spectrum3_001892, Spectrum4_000586, Spectrum5_001508, BSPBio_003424, KBioGR_001052, KBioSS_002035, MLS001240224, MLS001304737, DivK1c_006894, SPECTRUM1504099

Molecular Formula:	C₂₂H₃₀N₆O₄S	Molecular Weight:	474.576400 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	9

InChIKey: BNRNXUUZRGQAQC-UHFFFAOYSA-N

• Simvastatin

IUPAC Name: [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate | CAS Registry Number: 79902-63-9
Synonyms: simvastatin, Zocor, Synvinolin, Sinvacor, Sivastin, Colemin, Medipo, Pantok, Denan, Lipex, Labistatin, Cholestat, Nivelipol, Rendapid, Vasotenal, Coledis, Corolin, Lodales, Simovil, Vytorin

Molecular Formula:	C₂₅H₃₈O₅	Molecular Weight:	418.566220 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: RYMZZMVNJRMUDD-HGQWONQESA-N

• Sinomenine

Synonyms: Cucoline, Kukoline, Coculine, cuculine, Sabianine A, COCCULINE, Spectrum2_001242, Spectrum3_001134, Spectrum4_001981, Spectrum5_001621, UPCMLD-DP085, sinomenine A bismethyliodide, CCRIS 1550, BSPBio_002627, KBioGR_002508, SPECTRUM1505253, SPBio_001144, 365602_ALDRICH, STOCK1N-06056, UPCMLD-DP085:001

Molecular Formula:	C₁₉H₂₃NO₄	Molecular Weight:	329.390220 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: INYYVPJSBIVGPH-QHRIQVFBSA-N