Shanghai Sochem International Co., Ltd.

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Profile: Shanghai Sochem International Co., Ltd. is a manufacture of dyestuffs, pharmaceutical intermediates, pesticide intermediates, dyestuff intermediates, pigments and speciality chemicals. Our agrochemical & intermediates include 2,4-D isooctyl ester, aluminium phosphide, benzyl chloroformate, bromopropylate, campholenic aldehyde and copper acetate. Our speciality chemicals are photoinitiators, UV absorbers, water treatment chemicals, flame retardants and biochemicals.

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• Oxatomide

IUPAC Name: 3-[3-[4-[di(phenyl)methyl]piperazin-1-yl]propyl]-1H-benzimidazol-2-one | CAS Registry Number: 60607-34-3
Synonyms: oxatomide, Tinset, Oxatimide, Oxatomida, Celtect, Oxetal, Oxatomide (tinset), Celtect (TN), Oxatomidum [INN-Latin], Oxatomida [INN-Spanish], Lopac-O-9387, CBMicro_024634, Lopac0_000924, McN-JR 35443, Oprea1_338592, MLS000028549, Oxatomide (JAN/USAN/INN), O9387_SIGMA, Oxatomide [USAN:BAN:INN:JAN], C27H30N4O

Molecular Formula:	C₂₇H₃₀N₄O	Molecular Weight:	426.553300 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: BAINIUMDFURPJM-UHFFFAOYSA-N

• Oxybutynin

IUPAC Name: 4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate | CAS Registry Number: 5633-20-5
Synonyms: oxybutynin, Oxibutyninum, Oxytrol, Oxybutinin, Oxybutynin chloride, Ditropan, Pollakisu, Cystrin, Oxybutynin Base, Oxytrol (TN), Oxybutynin hydrochloride, Oxybutynine [INN-French], Oxybutyninum [INN-Latin], Oxibutinina [INN-Spanish], Oxybutynin (USAN/INN), Prestwick0_000287, Prestwick1_000287, Prestwick2_000287, Prestwick3_000287, CCRIS 1923

Molecular Formula:	C₂₂H₃₁NO₃	Molecular Weight:	357.486440 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: XIQVNETUBQGFHX-UHFFFAOYSA-N

• Paclitaxel

Synonyms: paclitaxel, Yewtaxan, TAXOL, Plaxicel, Paxceed, Taxol A, Abraxane, Ebetaxel, Capxol, Paxene, Onxol, TaxAlbin, LipoPac, Genetaxyl, Nanotaxel, Paclical, Pacligel, Anzatax, Genaxol, Genexol

Molecular Formula:	C₄₇H₅₁NO₁₄	Molecular Weight:	853.906140 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	14

InChIKey: RCINICONZNJXQF-MZXODVADSA-N

• Pamidronic Acid

IUPAC Name: (3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid | CAS Registry Number: 40391-99-9
Synonyms: pamidronate, Amidronate, Aredia, PAMIDRONIC ACID, Aminomux, AHPrBP, Bisphosphonate 6, pamidronate calcium, pamidronate monosodium, PAMIDRONATE DISODIUM, ChemDiv1_025240, aminopropanehydroxydiphosphonate, Acide pamidronique [INN-French], Acido pamidronico [INN-Spanish], Acidum pamidronicum [INN-Latin], Pamidronic acid [BAN:INN], Pamidronic acid [INN:BAN], C3H11NO7P2, aminohydroxypropylidene diphosphonate, STOCK1N-12562

Molecular Formula:	C₃H₁₁NO₇P₂	Molecular Weight:	235.069462 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	8

InChIKey: WRUUGTRCQOWXEG-UHFFFAOYSA-N

• Pantoprazole Sodium

IUPAC Name: sodium 5-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]benzimidazol-1-ide | CAS Registry Number: 138786-67-1
Synonyms: Pantoloc, Protonix, pantoprazole, Anagastra, Controloc, Pantecta, Pantopan, Pantozol, Peptazol, Ulcotenal, Inipomp, Pantorc, Protium, Zurcal, Apton, Rifun, Pantozol Control, Protonix IV, Protonix I.V, Ambap2569

Molecular Formula:	C₁₆H₁₄F₂N₃NaO₄S	Molecular Weight:	405.351636 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	9

InChIKey: YNWDKZIIWCEDEE-UHFFFAOYSA-N

• PAZUFLOXACIN 98+%

Synonyms: Pazufloxacin, Pasil, Pazufloxacin [INN], PZFX, Pazufloxacin (JAN/INN), UNII-4CZ1R38NDI, CCRIS 7312, MLS000759513, MLS001424116, C16H15FN2O4, CHEBI:505103, HMS2051B05, HMS2090H07, CID65957, AC-3506, GM-1171, T-3761, NCGC00167534-01, CPD000466380, SAM001246742

Molecular Formula:	C₁₆H₁₅FN₂O₄	Molecular Weight:	318.299703 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: XAGMUUZPGZWTRP-ZETCQYMHSA-N

• Penciclovir

IUPAC Name: 2-amino-9-[4-hydroxy-3-(hydroxymethyl)butyl]-3H-purin-6-one | CAS Registry Number: 39809-25-1
Synonyms: penciclovir, Denavir, Vectavir, Pencyclovir, Adenovir, Denavir (TN), Penciclovirum [INN-Latin], Penciclovir (USAN/INN), MLS000759422, MLS001424110, BRL 39123, Penciclovir [USAN:BAN:INN], Penciclovir [USAN:INN:BAN], CCRIS 9213, BRL-39123, AIDS070978, AIDS093112, AIDS093113, AIDS093114, C10H15N5O3

Molecular Formula:	C₁₀H₁₅N₅O₃	Molecular Weight:	253.257800 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	7

InChIKey: JNTOCHDNEULJHD-UHFFFAOYSA-N

• Penconazole

IUPAC Name: 1-[2-(2,4-dichlorophenyl)pentyl]-1,2,4-triazole | CAS Registry Number: 66246-88-6
Synonyms: Topaze, Onmex, Penconazol, Topaze C, Topas C, Topas MZ, Penconazole [BSI:ISO], 36189_RIEDEL, EINECS 266-275-6, CGA 71818, BRN 0541488, NCGC00166157-01, LS-155946, 1-(2-(2,4-Dichlorophenyl)pentyl)-1H-1,2,4-triazole, 5-26-01-00149 (Beilstein Handbook Reference), C087058, 1H-1,2,4-Triazole, 1-(2-(2,4-dichlorophenyl)pentyl)-, 1-(2,4-dichloro-beta-propylphenethyl)-1H-1,2,4-triazole, 1H-1,2,4-Triazole, 1-[2-(2,4-dichlorophenyl)pentyl]-, 87501-25-5

Molecular Formula:	C₁₃H₁₅Cl₂N₃	Molecular Weight:	284.184300 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: WKBPZYKAUNRMKP-UHFFFAOYSA-N

• Pendimethalin

IUPAC Name: 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline | CAS Registry Number: 40487-42-1
Synonyms: Penoxaline, PENDIMETHALIN, Prowl, Pendimethaline, Tendimethalin, Phenoxalin, Herbadox, Penoxalin, Accotab, Penoxyn, Sipaxol, Stomp, Wayup, Wax Up, Way Up, Go-Go-San, SWGC, Stomp 330D, Stomp 330E, Caswell No. 454BB

Molecular Formula:	C₁₃H₁₉N₃O₄	Molecular Weight:	281.307660 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: CHIFOSRWCNZCFN-UHFFFAOYSA-N

• Perindopril

IUPAC Name: (2S,3aS,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid | CAS Registry Number: 82834-16-0
Synonyms: PERINDOPRIL, Coversum, Coversyl, Coverex, Coverene Cor, ACEON, Spectrum_001948, cpd with unspecified MF, Spectrum2_001108, Spectrum3_001683, Spectrum4_000775, Spectrum5_001689, Perindopril (USAN/INN), PERINDOPRIL ERBUMINE, BSPBio_003206, KBioGR_001190, KBioSS_002502, MLS002154153, SPBio_001216, CHEBI:8024

Molecular Formula:	C₁₉H₃₂N₂O₅	Molecular Weight:	368.467780 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: IPVQLZZIHOAWMC-QXKUPLGCSA-N

• Persulphates

IUPAC Name: disodium sulfonatooxy sulfate | CAS Registry Number: 7775-27-1
Synonyms: Sodium persulfate, Sodium peroxydisulfate, Disodium peroxodisulphate, Sodium peroxodisulfate, Persulfate de sodium [French], Peroxydisulfuric acid, disodium salt, DISODIUM PEROXODISULFATE, S6172_SIAL, 71889_FLUKA, 71890_FLUKA, EINECS 231-892-1, UN1505, 216232_SIAL, Sodium persulfate [UN1505] [Oxidizer], Sodium persulfate [UN1505] [Oxidizer], LS-102480, disodium [(sulfonatoperoxy)sulfonyl]oxidanide, Peroxydisulfuric acid (((HO)S(O)2)2O2), disodium salt

Molecular Formula:	Na₂O₈S₂	Molecular Weight:	238.104740 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	8

InChIKey: CHQMHPLRPQMAMX-UHFFFAOYSA-L

• Phenmedipham

IUPAC Name: [3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate | CAS Registry Number: 13684-63-4
Synonyms: Phenmediphame, Fenmedifam, Kemifam, Spin-aid, Synbetan P, BETANAL, Schering 4072, Schering-38584, Morton EP 452, Caswell No. 648B, Phenmediphame [ISO-French], CCRIS 6091, Phenmedipham [ANSI:BSI:ISO], HSDB 1402, EINECS 237-199-0, EP-452, EPA Pesticide Chemical Code 098701, SN 4075, BRN 2395027, LS-799

Molecular Formula:	C₁₆H₁₆N₂O₄	Molecular Weight:	300.309240 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: IDOWTHOLJBTAFI-UHFFFAOYSA-N

• Phosalone

IUPAC Name: 6-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one | CAS Registry Number: 2310-17-0
Synonyms: phosalone, Fosalon, Zolone, fozalone, phoazlone, phozalone, Benzophosphate, Benzphos, Phosalon, Phozalon, Azofene, Fozalon, Rubitox, Zone, Zolone DT, Zolone PM, Phosalone 35 EC, Agria 1060 A, Niagara 9241, Caswell No. 660A

Molecular Formula:	C₁₂H₁₅ClNO₄PS₂	Molecular Weight:	367.808561 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: IOUNQDKNJZEDEP-UHFFFAOYSA-N

• Phosphoric Ether

IUPAC Name: triethyl phosphate | CAS Registry Number: 78-40-0
Synonyms: TRIETHYL PHOSPHATE, Ethyl phosphate, Triethylphosphate, Tris(ethyl) phosphate, Triethoxyphosphine oxide, Phosphoric acid, triethyl ester, Triethylfosfat [Czech], Ethyl phosphate (VAN), Ethyl phosphate ((EtO)3PO), CCRIS 4882, HSDB 2561, MLS002152947, WLN: 2OPO&O2&O2, 538728_ALDRICH, NSC 2677, o-Phosphoric acid triethyl ester, 90530_FLUKA, CHEBI:45927, EINECS 201-114-5, NSC2677

Molecular Formula:	C₆H₁₅O₄P	Molecular Weight:	182.154661 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: DQWPFSLDHJDLRL-UHFFFAOYSA-N

• Phosphorodithioic Acid S-[(Tert-Butylthio)-Methyl]-O,O-Diethyl Ester

IUPAC Name: tert-butylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-$l^{5}-phosphane | CAS Registry Number: 13071-79-9
Synonyms: Counter, TERBUFOS, Contraven, Terbufos (counter), Counter 15G, Caswell No. 131A, Terbufos [ANSI:BSI:ISO], PS680_SUPELCO, Counter 15G soil insecticide, CCRIS 4772, HSDB 6444, St-100, 45313_RIEDEL, CHEBI:38960, EINECS 235-963-8, ENT 27920, EPA Pesticide Chemical Code 105001, BRN 1710115, Counter 15G soil insecticide-nematicide, LS-734

Molecular Formula:	C₉H₂₁O₂PS₃	Molecular Weight:	288.430601 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: XLNZEKHULJKQBA-UHFFFAOYSA-N

• Phoxim

IUPAC Name: (Z)-N-diethoxyphosphinothioyloxybenzenecarboximidoyl cyanide | CAS Registry Number: 14816-18-3
Synonyms: Baythion, Valexone, Phoxime, Sebacil, Valexon, Volaton, PHOXIM, Phoximum, Valekson, Foxima, Phoxim [BSI:ISO], Caswell No. 902L, Foxima [INN-Spanish], Phoxime [INN-French], Phoxime [ISO-French], Phoximum [INN-Latin], Phoxim [INN:BAN], Bayer 77488, BAY sra 7502, UNII-6F5V775VPO

Molecular Formula:	C₁₂H₁₅N₂O₃PS	Molecular Weight:	298.297861 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: ATROHALUCMTWTB-WYMLVPIESA-N

• Picric Acid

IUPAC Name: 2,4,6-trinitrophenol | CAS Registry Number: 88-89-1
Synonyms: PICRIC ACID, Trinitrophenol, Melinite, Picral, Carbazotic acid, 2,4,6-Trinitrophenol, Picronitric acid, Pikrinsaeure, Nitroxanthic acid, Phenol trinitrate, Phenoltrinitrate, Acide picrique, Pikrinezuur, Acidum picrinicum, Pikrynowy kwas, Acido picrico, Picric acid, dry, Picric acid, wet, Phenol, 2,4,6-trinitro-, Pikrinezuur [Dutch]

Molecular Formula:	C₆H₃N₃O₇	Molecular Weight:	229.103920 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	7

InChIKey: OXNIZHLAWKMVMX-UHFFFAOYSA-N

• Pivaloyl Chloride

IUPAC Name: 2,2-dimethylpropanoyl chloride | CAS Registry Number: 3282-30-2
Synonyms: Pivalyl chloride, Pivaloyl chloride, Trimethylacetyl chloride, Propanoyl chloride, 2,2-dimethyl-, T72605_ALDRICH, 2,2-DIMETHYLPROPANOYL CHLORIDE, 80910_FLUKA, EINECS 221-921-6, UN2438, ZINC01534960, Trimethylacetyl chloride [UN2438] [Poison], InChI=1/C5H9ClO/c1-5(2,3)4(6)7/h1-3H

Molecular Formula:	C₅H₉ClO	Molecular Weight:	120.577360 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: JVSFQJZRHXAUGT-UHFFFAOYSA-N

• Poly(4-Hydroxy-2,2,6,6-Tetramethyl-1-Piperidine Ethanol-Alt-1,4-Butanedioic Acid

IUPAC Name: 2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate | CAS Registry Number: 65447-77-0
Synonyms: Poly(4-hydroxy-2,2,6,6-tetramethyl-1-piperidineethanol-alt-1,4-butanedioic acid), SureCN1625511, AKOS016004939, AK-44053

Molecular Formula:	C₁₇H₃₁NO₄	Molecular Weight:	313.432340 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: CTJXKCPBMVLOQI-UHFFFAOYSA-N

• Pramipexole

IUPAC Name: (6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine | CAS Registry Number: 104632-26-0
Synonyms: pramipexole, Pramipexol, Mirapex, (-)-Pramipexole, Pramipexol [Spanish], Pramipexolum [Latin], Spectrum_001838, SpecPlus_000820, Spectrum5_001453, Pramipexole (USAN/INN), Pramipexole [USAN:INN], SUD919CL2Y, KBioSS_002343, MLS000758250, MLS001423952, DivK1c_006916, CHEBI:8356, C10H17N3S, KBio1_001860, KBio2_002340

Molecular Formula:	C₁₀H₁₇N₃S	Molecular Weight:	211.327080 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: FASDKYOPVNHBLU-ZETCQYMHSA-N

• Prednisolone

IUPAC Name: (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one | CAS Registry Number: 50-24-8
Synonyms: prednisolone, Deltacortril, Cortalone, Delta-Cortef, Deltacortenol, Hydrodeltalone, Hydrodeltisone, Metacortandralone, Meticortelone, Codelcortone, Deltisilone, Fernisolone, Precortancyl, Precortilon, Precortisyl, Predniliderm, Scherisolon, Cotogesic, Delcortol, Donisolone

Molecular Formula:	C₂₁H₂₈O₅	Molecular Weight:	360.444020 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: OIGNJSKKLXVSLS-VWUMJDOOSA-N

• Pretilachlor

IUPAC Name: 2-chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)acetamide | CAS Registry Number: 51218-49-6
Synonyms: Pretilachlore, Solnet, Rifit, retilachlor, Pretilachlor [BSI:ISO], Pretilachlore [ISO-French], CG 113, CGA 26423, CID91644, BRN 2754162, LS-8485, NCGC00166165-01, 2-Chloro-2',6'-diethyl-N-(2-propoxyethyl)acetanilide, C14517, C118050, 2-Chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)acetamide, Acetamide, 2-chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)-, 81690-06-4

Molecular Formula:	C₁₇H₂₆ClNO₂	Molecular Weight:	311.846840 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: YLPGTOIOYRQOHV-UHFFFAOYSA-N

• Primisulfuron-methyl

IUPAC Name: methyl 2-[[4,6-bis(difluoromethoxy)pyrimidin-2-yl]carbamoylsulfamoyl]benzoate | CAS Registry Number: 86209-51-0
Synonyms: Beacon, Rifle, Tell, Primisulfuron methyl, HSDB 7062, 46010_RIEDEL, MolPort-002-130-991, AIDS439539, CGA 136872, AIDS-439539, CID101525, ZINC02565248, NCGC00163861-01, NCGC00163861-02, LS-36178, Benzoic acid, 2-(((((4,6-bis(difluoromethoxy)-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-, methyl ester, methyl 2-[({[4,6-bis(difluoromethoxy)pyrimidin-2-yl]carbamoyl}amino)sulfonyl]benzoate, 179765-69-6, Benzoic acid, 2-[[[[[4,6-bis(difluoromethoxy)-2-pyrimidinyl]amino]carbonyl]amino]sulfonyl]-, methyl ester, PSM

Molecular Formula:	C₁₅H₁₂F₄N₄O₇S	Molecular Weight:	468.336993 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	13

InChIKey: ZTYVMAQSHCZXLF-UHFFFAOYSA-N

• Probenazole

IUPAC Name: 3-prop-2-enoxy-1,2-benzothiazole 1,1-dioxide | CAS Registry Number: 27605-76-1
Synonyms: Oryzaemate, Oryzemate, PO-20, MolPort-003-986-705, CID91587, BRN 1214464, ZINC02564893, LS-33547, 3-(Allyloxy)-1,2-benzisothiazole 1,1-dioxide, TL8002219, 1,2-Benzisothiazole, 3-(allyloxy)-, 1,1-dioxide, 3-(2-Propenyloxy)-1,2-benzisothiazole 1,1-dioxide, 1,2-Benzisothiazole, 3-(2-propenyloxy)-, 1,1-dioxide, 1,2-Benzisothiazole, 3-(2-propenyloxy)-, 1,1-dioxide (9CI)

Molecular Formula:	C₁₀H₉NO₃S	Molecular Weight:	223.248360 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: WHHIPMZEDGBUCC-UHFFFAOYSA-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

• Propamocarb

IUPAC Name: propyl N-[3-(dimethylamino)propyl]carbamate | CAS Registry Number: 24579-73-5
Synonyms: Propamocarbe, Prevex, PROPAMOCARB, Previcur, Propamocarbe [ISO-French], Nor-AM 39744, Propamocarb [ANSI:BSI:ISO], propamocarb monohydrochloride, 45638_RIEDEL, EPA Pesticide Chemical Code 119302, BRN 2080745, Propyl (3-(dimehylamino)propyl)carbamate, SN 39744, Propyl (3-(dimethylamino)propyl)carbamate, Propyl 3-(dimethylamino)propylcarbamate, NCGC00163874-01, NCGC00163874-02, NCGC00163874-03, LS-49437, C033205

Molecular Formula:	C₉H₂₀N₂O₂	Molecular Weight:	188.267300 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: WZZLDXDUQPOXNW-UHFFFAOYSA-N

• Propamocarb hydrochloride

IUPAC Name: propyl N-[3-(dimethylamino)propyl]carbamate hydrochloride | CAS Registry Number: 25606-41-1
Synonyms: NCGC00163874-01, propyl [3-(dimethylamino)propyl]carbamate hydrochloride

Molecular Formula:	C₉H₂₁ClN₂O₂	Molecular Weight:	224.728240 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: MKIMSXGUTQTKJU-UHFFFAOYSA-N

• Propanil

IUPAC Name: N-(3,4-dichlorophenyl)propanamide | CAS Registry Number: 709-98-8
Synonyms: propanil, Propanide, Grascide, Propanex, Propanid, Supernox, Surcopur, Dipram, Rogue, Cekupropanil, Propanilo, Riselect, Stampede, Erbanil, Rosanil, Herbax, Montrose propanil, Chem Rice, Synpran N, Erban

Molecular Formula:	C₉H₉Cl₂NO	Molecular Weight:	218.079860 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: LFULEKSKNZEWOE-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

• Propazine

IUPAC Name: 6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine | CAS Registry Number: 139-40-2
Synonyms: propazine, Gesamil, Plantulin, Milogard, Prozinex, Propasin, Propazin, Primatol P, Milo-pro, Milocep, Propazin (VAN), Propazine (herbicide), Propazine solution, Milogard 4L, Caswell No. 184, Geigy 30,028, Maxx 90, Milo-Pro 4L, Spectrum_001805, SpecPlus_000396

Molecular Formula:	C₉H₁₆ClN₅	Molecular Weight:	229.709840 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: WJNRPILHGGKWCK-UHFFFAOYSA-N

• Propiconazole

IUPAC Name: 1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole | CAS Registry Number: 60207-90-1
Synonyms: PROPICONAZOLE, Tilt, Banner, Desmel, Orbit, Radar, Propyconazol, Caswell No. 323EE, Propiconazole solution, Propiconazole [BSI:ISO], PS1075_SUPELCO, Oprea1_008846, Oprea1_352194, HSDB 6731, MLS000525333, C15H17Cl2N3O2, 45642_RIEDEL, 45899_RIEDEL, CGD 92710F, EINECS 262-104-4

Molecular Formula:	C₁₅H₁₇Cl₂N₃O₂	Molecular Weight:	342.220380 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: STJLVHWMYQXCPB-UHFFFAOYSA-N

• Propyzamide

IUPAC Name: 3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide | CAS Registry Number: 23950-58-5
Synonyms: Pronamid, Clanex, PRONAMIDE, propisamide, propizamide, KERB, Pronamide (Kerb), Caswell No. 306A, Propyzamide [BSI:ISO], RCRA waste no. U192, RCRA waste number U192, KERB 50W, PS349_SUPELCO, CCRIS 1413, HSDB 5118, 442764_SUPELCO, 45645_RIEDEL, EINECS 245-951-4, RH 315, RH-315

Molecular Formula:	C₁₂H₁₁Cl₂NO	Molecular Weight:	256.127840 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: PHNUZKMIPFFYSO-UHFFFAOYSA-N

• Pymetrozine

IUPAC Name: 6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one | CAS Registry Number: 123312-89-0
Synonyms: Endeavor, Fulfill, Plenum, Chess, Pymetrozin, Pymetrozine [ISO:BSI], Pymetrozine [ISO:BSI], HSDB 7054, 46119_RIEDEL, 46119_FLUKA, CHEBI:39311, CGA 215944, CID9576037, EINECS Annex I Index 613-202-00-4, NCGC00164310-01, NCGC00168332-01, LS-155686, I14-4541, 1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-methyl-4-((3-pyridinylmethylene)amino)-, (E)-, 1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-methyl-4-((E)-(3-pyridinylmethylene)amino)-

Molecular Formula:	C₁₀H₁₁N₅O	Molecular Weight:	217.227240 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: QHMTXANCGGJZRX-WUXMJOGZSA-N

• Pyrazole

IUPAC Name: 1H-pyrazole | CAS Registry Number: 288-13-1
Synonyms: pyrazole, 1H-Pyrazole, 1,2-diazole, 1H-pyrazol, WLN: T5MNJ, P56607_ALDRICH, C3H4N2, NSC45410, CHEBI:17241, EINECS 206-017-1, CID1048, NSC 45410, AIDS069154, AIDS-069154, ZINC00895257, AI3-60151, NCI60_004054, ST007565, LS-127884, TL8002272

Molecular Formula:	C₃H₄N₂	Molecular Weight:	68.077260 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: WTKZEGDFNFYCGP-UHFFFAOYSA-N

• Pyrazosulfuron-Ethyl

IUPAC Name: ethyl 5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate | CAS Registry Number: 93697-74-6
Synonyms: Agreen, Sirius, Pyrazosulfuron-ethyl, Pyrazosulfuron ethyl, 46323_RIEDEL, NC-311, AIDS223259, AIDS-223259, CID91750, LS-128325, Ethyl 5-(4,6-dimethoxypyrimidin-2-ylcarbamoylsulfamoyl)-1-methylpyrazole-4-carboxylate, 1H-Pyrazole-4-carboxylic acid, 5-(((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-1-methyl-, ethyl ester, 1H-Pyrazole-4-carboxylic acid, 5-[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-1-methyl-, ethyl ester, Ethyl 5-[(4,6-dimethoxy-2-pyrimidinyl)aminocarbonylaminosulfonyl]-1-methyl-1H-pyrazole-4-carboxylate, PSE

Molecular Formula:	C₁₄H₁₈N₆O₇S	Molecular Weight:	414.393720 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	11

InChIKey: BGNQYGRXEXDAIQ-UHFFFAOYSA-N

• Pyrimethanil

IUPAC Name: 4,6-dimethyl-N-phenylpyrimidin-2-amine | CAS Registry Number: 53112-28-0
Synonyms: Pyrimethanil [ISO], Peakdale1_000145, HSDB 6916, 46039_RIEDEL, 2-Anilino-4,6-dimethylpyrimidine, CID91650, ZINC00150092, 2-Pyrimidinamine, 4,6-dimethyl-N-phenyl-, 4,6-dimethyl-N-phenyl-2-pyrimidinamine, 4,6-dimethyl-N-phenylpyrimidin-2-amine, NCGC00164307-01, NCGC00164307-02, LS-184329, C11180, A4395/0187610

Molecular Formula:	C₁₂H₁₃N₃	Molecular Weight:	199.251720 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: ZLIBICFPKPWGIZ-UHFFFAOYSA-N

• Pyriproxyfen

IUPAC Name: 2-[1-[4-(phenoxy)phenoxy]propan-2-yloxy]pyridine | CAS Registry Number: 95737-68-1
Synonyms: juvinal, Pyriproxifen, Pyriproxyfen [ISO:BSI], pyriproxyfen, (R)-isomer, pyriproxyfen, (S)-isomer, HSDB 7053, 34174_RIEDEL, OMS 3019, CHEBI:39260, SK 591, CID91753, 2-[1-Methyl-2-(4-phenoxyphenoxy)ethoxy]pyridine, NCGC00163945-01, NCGC00163945-02, 2-(1-Methyl-2-(4-phenoxyphenoxy)ethoxy)pyridine, S 31183, 4-Phenoxyphenyl (RS)-2-(2-pyridyloxy)propyl ether, S 9138, S31183, LS-131826

Molecular Formula:	C₂₀H₁₉NO₃	Molecular Weight:	321.369760 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: NHDHVHZZCFYRSB-UHFFFAOYSA-N

• Pyrithiobac sodium

IUPAC Name: sodium 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)sulfanylbenzoate | CAS Registry Number: 123343-16-8
Synonyms: Staple, Pyrithiobac-sodium, Staple 85SP, Pyrithiobac-sodium [ISO], DPX-PE 350, KIH 2031, LS-36463, Sodium 2-chloro-6-(4,6-dimethoxypyrimidin-2-ylthio)benzoate, Sodium 2-chloro-6-((4,6-dimethoxy-2-pyrimidinyl)thio0benzoate, Benzoic acid, 2-chloro-6-((4,6-dimethoxy-2-pyrimidinyl)thio)-, sodiu, salt, sodium 2-chloro-6-[(4,6-dimethoxypyrimidin-2-yl)thio]benzoate

Molecular Formula:	C₁₃H₁₀ClN₂NaO₄S	Molecular Weight:	348.737270 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: CNILNQMBAHKMFS-UHFFFAOYSA-M

• Quetiapine Hemifumarate

IUPAC Name: 2-[2-(4-benzo[b][1,5]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol | CAS Registry Number: 111974-69-7
Synonyms: quetiapine, Seroquel, Seroquel (Fumarate), Quetiapine [INN:BAN], MLS001165710, MLS001195658, SPECTRUM1505187, CID5002, CHEBI:8707, STOCK6S-53310, C21H25N3O2S, AIDS085406, AIDS-085406, ZD5077, DB01224, KS-1099, ICI 204,636, NCGC00095911-01, NCGC00095911-03, NCGC00095911-04

Molecular Formula:	C₂₁H₂₅N₃O₂S	Molecular Weight:	383.507100 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: URKOMYMAXPYINW-UHFFFAOYSA-N

• Quinapril

IUPAC Name: (3S)-2-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid | CAS Registry Number: 85441-61-8
Synonyms: quinapril, Quinaprilum, Quinazil, Quinaprilum [Latin], QUINAPRIL HCL, Spectrum_001597, Quinapril (USP/INN), Quinapril [INN:BAN], Spectrum2_000825, Spectrum3_001551, Spectrum4_000727, Spectrum5_001075, BSPBio_003022, KBioGR_000994, KBioSS_002077, QUINAPRIL HYDROCHLORIDE, DivK1c_000710, SPBio_000749, CHEBI:8713, KBio1_000710

Molecular Formula:	C₂₅H₃₀N₂O₅	Molecular Weight:	438.516100 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: JSDRRTOADPPCHY-HSQYWUDLSA-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

• Quizalofop-p-Ethyl

IUPAC Name: ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate | CAS Registry Number: 100646-51-3
Synonyms: Quizalofop-p-ethyl, Assure, Assure II, Quinofop-ethyl, Quizalofop-P-ethyl [ISO], 34074_RIEDEL, DPX-Y6202, DPX-Y6202-31, NCI-861094, ZINC01854181, CID1617113, LS-121324, TL8000066, Ethyl (R)-2-(4-((6-chloro-2-quinoxalinyl)oxy)phenoxy)propanoate, Ethyl (R)-2-[4-(6-chloro-2-quinoxalyloxy)phenoxy]propionate, Propanoic acid, 2-(4-((6-chloro-2-quinoxalinyl)oxy)phenoxy)-, ethyl ester, (R)-

Molecular Formula:	C₁₉H₁₇ClN₂O₄	Molecular Weight:	372.802280 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: OSUHJPCHFDQAIT-GFCCVEGCSA-N

• Quizalofop-P-Tefuryl

IUPAC Name: [(2S)-oxolan-2-yl]methyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate | CAS Registry Number: 119738-06-6
Synonyms: Quizalofop-P-tefuryl, TPC-PC003, ZINC21999861

Molecular Formula:	C₂₂H₂₁ClN₂O₅	Molecular Weight:	428.865540 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	7

InChIKey: BBKDWPHJZANJGB-KDOFPFPSSA-N

• R Salt

IUPAC Name: 3-hydroxynaphthalene-2,7-disulfonate | CAS Registry Number: 135-51-3
Synonyms: ZINC01687254, CID3740439, LS-190711

Molecular Formula:	C₁₀H₆O₇S₂-₂	Molecular Weight:	302.280440 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	7

InChIKey: USWINTIHFQKJTR-UHFFFAOYSA-L

• R-(-)-2-Chloromandelic Acid

IUPAC Name: (2R)-2-(2-chlorophenyl)-2-hydroxyacetic acid | CAS Registry Number: 52950-18-2
Synonyms: (R)-(-)-2-Chloromandelic acid, (R)-2-Chloromandelic acid, (R)-2-(2-Chlorophenyl)-2-hydroxyacetic acid, (2R)-2-(2-chlorophenyl)-2-hydroxyacetic acid, PubChem5742, AC1MBZCR, SureCN24732, 2-Chloro-D-mandelic Acid, AC1Q59EN, KSC914S2L, 478873_ALDRICH, CTK8B4925, MolPort-002-344-079, ACN-S004242, ANW-46708, RP24670, AC-11667, AK-81922, TL8003481, (R)-2-Chloro-alpha-hydroxyphenylacetic Acid

Molecular Formula:	C₈H₇ClO₃	Molecular Weight:	186.592380 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: RWOLDZZTBNYTMS-SSDOTTSWSA-N

• Ramipril

IUPAC Name: (2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid | CAS Registry Number: 87333-19-5
Synonyms: ramipril, Tritace, Altace, Carasel, Triatec, Ramace, Delix, Lostapres, Cardace, Pramace, Acovil, Hytren, Vesdil, Quark, Unipril, Ramiprilum [Latin], Altace (TN), Ramipril (USP/INN), Spectrum_001958, Hoe-498

Molecular Formula:	C₂₃H₃₂N₂O₅	Molecular Weight:	416.510580 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: HDACQVRGBOVJII-JBDAPHQKSA-N

• Ranitidine

IUPAC Name: (E)-1-N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-1-N'-methyl-2-nitroethene-1,1-diamine | CAS Registry Number: 66357-35-5
Synonyms: ranitidine, Gastrosedol, Duractin, Gastrial, Microtid, Ptinolin, Ranidine, Raniogas, Ranitiget, Rantacid, Raticina, Ulceranin, Weichilin, Xanidine, Zantadin, Achedos, Coralen, Istomar, Quantor, Quicran

Molecular Formula:	C₁₃H₂₂N₄O₃S	Molecular Weight:	314.403780 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: VMXUWOKSQNHOCA-UKTHLTGXSA-N

• Ranitidine hydrochloride

IUPAC Name: (E)-1-N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-1-N'-methyl-2-nitroethene-1,1-diamine hydrochloride | CAS Registry Number: 66357-59-3
Synonyms: Tanidina, Toriol, ranitidine hydrochloride, ranic, Digestosan, Gastridina, Serviradine, Alvidina, Azuranit, Fendibina, Gastrolav, Raniberl, Raniberta, Ranibloc, Ranidura, Ranigasan, Ranigast, Ranilonga, Ranimerck, Ranitidin

Molecular Formula:	C₁₃H₂₃ClN₄O₃S	Molecular Weight:	350.864720 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: GGWBHVILAJZWKJ-KJEVSKRMSA-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