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Shanghai Sochem International Co., Ltd.

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Contact: Mr.John Xu
Web: http://www.sochem.com.cn
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Address: Rm 504, ESIT Plaza,1877 South Pudong Road, Pudong, Shanghai 200122, China
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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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• 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: C20H19NO3Molecular Weight: 321.369760 [g/mol]
H-Bond Donor: 0H-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: C13H10ClN2NaO4SMolecular Weight: 348.737270 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: CNILNQMBAHKMFS-UHFFFAOYSA-M

• Quetiapine
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: C21H25N3O2SMolecular Weight: 383.507100 [g/mol]
H-Bond Donor: 1H-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: C25H30N2O5Molecular Weight: 438.516100 [g/mol]
H-Bond Donor: 2H-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: C7H5NO4Molecular Weight: 167.118900 [g/mol]
H-Bond Donor: 2H-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: 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: C19H17ClN2O4Molecular Weight: 372.802280 [g/mol]
H-Bond Donor: 0H-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: C22H21ClN2O5Molecular Weight: 428.865540 [g/mol]
H-Bond Donor: 0H-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: C10H6O7S2-2Molecular Weight: 302.280440 [g/mol]
H-Bond Donor: 1H-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: C8H7ClO3Molecular Weight: 186.592380 [g/mol]
H-Bond Donor: 2H-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: C23H32N2O5Molecular Weight: 416.510580 [g/mol]
H-Bond Donor: 2H-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: C13H22N4O3SMolecular Weight: 314.403780 [g/mol]
H-Bond Donor: 2H-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: C13H23ClN4O3SMolecular Weight: 350.864720 [g/mol]
H-Bond Donor: 3H-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, 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, Rimantadine hydrochloride (USAN)

Molecular Formula: C12H22ClNMolecular Weight: 215.762780 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: OZBDFBJXRJWNAV-UHFFFAOYSA-N

• Rimsulfuron
IUPAC Name: 1-(4,6-dimethoxypyrimidin-2-yl)-3-(3-ethylsulfonylpyridin-2-yl)sulfonylurea | CAS Registry Number: 122931-48-0
Synonyms: Matrix, Tarot, Titus, Rimsulfuron [ANSI], DPX-E9636, DPX-E 9636, NCGC00163825-01, NCGC00163825-02, LS-131962, C10952, 1-(4,6-Dimethoxypyrimidin-2-yl)-3-(3-ethylsulfonyl-2-pyridylsulfonyl)urea, 2-Pyridinesulfonamide, N-(((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)-3-(ethylsulfonyl)-, N-(((4,6-Dimethoxy-2-pyrimidinyl)amino)carbonyl)-3-(ethylsulfonyl)-2-pyridinesulfonamide, N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-3-(ethylsulfonyl)pyridine-2-sulfonamide

Molecular Formula: C14H17N5O7S2Molecular Weight: 431.444080 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 10

InChIKey: MEFOUWRMVYJCQC-UHFFFAOYSA-N

• Risperidone Amine
IUPAC Name: 6-fluoro-3-piperidin-4-yl-1,2-benzoxazole | CAS Registry Number: 84163-77-9
Synonyms: CID849421, SBB011438, BAS 13549338, FS011319, 6-Fluoro-3-piperidin-4-yl-benzo[d]isoxazole, 4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidine, 6-fluoro-3-(4-piperidinyl)-1,2-benzisoxazole, AO-638/40907418

Molecular Formula: C12H13FN2OMolecular Weight: 220.242823 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: MRMGJMGHPJZSAE-UHFFFAOYSA-N

• Ritonavir
IUPAC Name: 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-di(phenyl)hexan-2-yl]carbamate | CAS Registry Number: 155213-67-5
Synonyms: ritonavir, Norvir, Kaletra, Mixture Name, 1hxw, Ritonavir [USAN], Component of Kaletra, Norvir (TM), Norvir (TN), Abbott 84538, 1sh9, ABT-538, MLS000759541, MLS001424063, Ritonavir (JAN/USAN/INN), ABT538, STOCK6S-48483, HSDB 7160, C37H48N6O5S2, NSC693184

Molecular Formula: C37H48N6O5S2Molecular Weight: 720.944220 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: NCDNCNXCDXHOMX-XGKFQTDJSA-N

• Rizatriptan benzoate
IUPAC Name: benzoic acid; N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine | CAS Registry Number: 145202-66-0
Synonyms: Maxalt, rizatriptan, Maxalt-MLT, Rizatriptan(RIZ), Maxalt (TN), Rizatriptan Benzoate [USAN], MLS001424197, MK 462, MK-462, MK 0462, MK-0462, Rizatriptan benzoate (JAN/USAN), C15H19N5.C7H6O2, CID77997, CPD000525252, SAM001246615, SMR000525252, L 705126, L-705126, L 705,126

Molecular Formula: C22H25N5O2Molecular Weight: 391.466200 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: JPRXYLQNJJVCMZ-UHFFFAOYSA-N

• Rofecoxib
IUPAC Name: 3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one | CAS Registry Number: 162011-90-7
Synonyms: rofecoxib, Vioxx, Ceoxx, refecoxib, Vioxx Dolor, Vioxx (trademark), Vioxx (TN), MSD brand of rofecoxib, Spectrum_000119, SpecPlus_000669, Merck brand of rofecoxib, Spectrum2_000446, Spectrum3_001153, Spectrum4_000631, Spectrum5_001598, CCRIS 8967, MK 966, BSPBio_002705, KBioGR_001242, KBioGR_002345

Molecular Formula: C17H14O4SMolecular Weight: 314.355660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: RZJQGNCSTQAWON-UHFFFAOYSA-N

• Rosiglitazone maleate
IUPAC Name: (Z)-but-2-enedioic acid; 5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione | CAS Registry Number: 155141-29-0
Synonyms: Avandia, rosiglitazone, Avandaryl, Nyracta, Venvia, Mixture Name, Avandia (TN), Rosiglitazone Maleate [USAN], MLS001306472, MLS001401426, BRL 49653C, BRL 49653-C, BRL-49653C, Rosiglitazone maleate (JAN/USAN), C18H19N3O3S.C4H4O4, NSC717764, Avandia administration for 6-12 weeks, CID5281055, CPD000471612, SAM001246610

Molecular Formula: C22H23N3O7SMolecular Weight: 473.498920 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 9

InChIKey: SUFUKZSWUHZXAV-BTJKTKAUSA-N

• Roxatidine
IUPAC Name: 2-hydroxy-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide hydrochloride | CAS Registry Number: 78273-80-0
Synonyms: Roxatidine hydrochloride, HOE 062, CID178998, Acetamide, 2-hydroxy-N-(3-(3-(1-piperidinylmethyl)phenoxy)propyl)-, monohydrochloride, 97900-88-4

Molecular Formula: C17H27ClN2O3Molecular Weight: 342.860880 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: DPCZALPCMCPHAK-UHFFFAOYSA-N

• S-4-Phenyl-2-oxazolidinone
IUPAC Name: (4S)-4-phenyl-1,3-oxazolidin-2-one | CAS Registry Number: 99395-88-7
Synonyms: 376698_ALDRICH, 78875_FLUKA, (S)-()-4-Phenyl-2-oxazolidinone, ZINC00143123, (S)-(+)-4-Phenyl-2-oxazolidinone, TL8006065, A00133, InChI=1/C9H9NO2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11

Molecular Formula: C9H9NO2Molecular Weight: 163.173260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QDMNNMIOWVJVLY-MRVPVSSYSA-N

• S-Bioallethrin
IUPAC Name: [(1S)-2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] (1R,3R)-3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate | CAS Registry Number: 28434-00-6
Synonyms: Bioallethrin, Esbioallethrin, Esdepallethrine, Esbiol, d-T-Allethrin, Wasp Killer II, S-BIOALLETHRIN, trans-(+)-Allethrin, Esbiol concentrate 90%, D-TRANS-ALLETHRIN, bioallethrin, 3H-labeled, d-Allethrolone chrysanthemumate, EINECS 249-013-5, d-Allethrolone d-trans-chrysanthemumate, BRN 2059862, RU 16121, (+)-Allethronyl (+)-trans-chrysanthemumate, AI 3-29024, bioallethrin, (1R-(1alpha(R*),3beta))-isomer, bioallethrin, (1R-(1alpha(S*),2beta))-isomer

Molecular Formula: C17H22O3Molecular Weight: 274.354780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: CZWVPEYYVZCJLA-SNPRPXQTSA-N

• s-Ethyl Dipropylthiocarbamate
IUPAC Name: S-ethyl N,N-dipropylcarbamothioate | CAS Registry Number: 759-94-4
Synonyms: EPTC, Torbin, Alirox, Niptan, Witox, EPTAM, Eptam 6E, S-Ethyl dipropylthiocarbamate, Genep EPTC, EPTC (herbicide), Stauffer R 1608, Caswell No. 435, ERADICANE, EPTC [BSI:ISO], Ethyl dipropylthiocarbamate, PS54_SUPELCO, S-Ethyl N,N-dipropylthiocarbamate, S-Ethyl-N,N-dipropylthiocarbamate, CCRIS 6035, HSDB 394

Molecular Formula: C9H19NOSMolecular Weight: 189.318260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: GUVLYNGULCJVDO-UHFFFAOYSA-N

• Salmeterol
IUPAC Name: 2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenol | CAS Registry Number: 89365-50-4
Synonyms: Astmerole, Serevent, Aeromax, Salmeterolum [Latin], salmeterol xinafoate, Prestwick3_000945, Salmeterol (USAN/INN), Salmeterol [USAN:BAN:INN], Lopac0_001100, BSPBio_000910, HSDB 7315, MLS000759000, MLS001424322, BPBio1_001002, STOCK6S-48836, C25H37NO4, CID5152, GR 33343X, DB00938, NCGC00025247-02

Molecular Formula: C25H37NO4Molecular Weight: 415.565580 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: GIIZNNXWQWCKIB-UHFFFAOYSA-N

• Saquinavir
IUPAC Name: (2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide | CAS Registry Number: 127779-20-8
Synonyms: Fortovase, SAQUINAVIR, Invirase, 1hxb, 2fgu, 2fgv, Saquinavir mesylate, Fortovase (TN), Prestwick0_001114, Prestwick1_001114, Prestwick2_001114, Prestwick3_001114, QNC-ASN-HPH-DIQ-NTB, BSPBio_001248, Saquinavir (JAN/USP/INN), MLS001195635, MLS001304735, SPBio_003114, BPBio1_001373, AIDS000640

Molecular Formula: C38H50N6O5Molecular Weight: 670.840800 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 7

InChIKey: QWAXKHKRTORLEM-UGJKXSETSA-N

• Schaeffers Acid, Potassium Salt
IUPAC Name: potassium 6-hydroxynaphthalene-2-sulfonate | CAS Registry Number: 833-66-9
Synonyms: Schaeffer's acid, monopotassium salt, CID70031, EINECS 212-631-0, potassium 6-hydroxynaphthalene-2-sulfonate, Potassium 6-hydroxynaphthalene-2-sulphonate, 2-Naphthalenesulfonic acid, 6-hydroxy-, monopotassium salt, 93-01-6

Molecular Formula: C10H7KO4SMolecular Weight: 262.323480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: PZWWSVPMGHDZNJ-UHFFFAOYSA-M

• Sertraline
IUPAC Name: (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine | CAS Registry Number: 79617-96-2
Synonyms: sertraline, Zoloft, Sertralinum [Latin], Sertralina [Spanish], Sertraline (INN), sertraline (Zoloft), Sertraline hydrochloride, Sertraline [Zoloft], Sertraline [INN:BAN], Prestwick3_001014, Spectrum2_000493, Spectrum3_001079, Spectrum4_001232, SULTAMICILLIN TOSYLATE, BSPBio_001167, BSPBio_002698, C17H17Cl2N, KBioGR_001724, HSDB 7037, MLS001195647

Molecular Formula: C17H17Cl2NMolecular Weight: 306.229580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: VGKDLMBJGBXTGI-SJCJKPOMSA-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: C7H6O3Molecular Weight: 138.120740 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: LUSZGTFNYDARNI-UHFFFAOYSA-N

• Sethoxydim
IUPAC Name: 2-[1-(ethoxyamino)butylidene]-5-(2-ethylsulfanylpropyl)cyclohexane-1,3-dione | CAS Registry Number: 74051-80-2
Synonyms: Cyethoxydim, Checkmate, Fervinal, Grasidim, Aljaden, Expand, Poast, Tritex-extra, SETHOXYDIM, NABU, Caswell No. 072A, Sethoxydim [BSI:ISO], Sethoxydime [ISO-French], PS2013_SUPELCO, BAS 9052H, 36795_RIEDEL, BAS 90520H, NP 55, BAS 9052, EINECS 277-682-3

Molecular Formula: C17H29NO3SMolecular Weight: 327.482060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: JEFHGYSGNIFAEY-UHFFFAOYSA-N

• Sildenafil citrate
IUPAC Name: 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one; 2-hydroxypropane-1,2,3-tricarboxylic acid | CAS Registry Number: 171599-83-0
Synonyms: Revatio, VIAGRA, Penegra, Patrex, Revatio (TN), Wan Ai Ke, Viagra (TN), Ambap5516, Sildenafil citrate [USAN], Sildenafil citrate (JAN/USAN), IUK-92,480, SL-00761, UK 92480-10, UK-92480, LS-111685, UK-92480-10, D02229, 1-((3-(6,7-Dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo(4,3-d)pyrimidin-5-yl)-4-ethoxyphenyl)sulfonyl)-4-methylpiperazine citrate (1:1), Piperazine, 1-((3-(6,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo(4,3-d)pyrimidin-5-yl)-4-ethoxyphenyl)sulfonyl)-4-methyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1), 1-((3-(6,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo(4,3-d)pyrimidin-5-yl)-4-ethoxyphenyl)sulfonyl)-4-methyl-,2-hydroxy-1,2,3-propanetricarboxylate

Molecular Formula: C28H38N6O11SMolecular Weight: 666.699920 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 16

InChIKey: DEIYFTQMQPDXOT-UHFFFAOYSA-N

• Simazine
IUPAC Name: 6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine | CAS Registry Number: 122-34-9
Synonyms: simazine, Gesatop, Princep, Simanex, Taphazine, Aquazine, Batazina, Herbazin, Symazine, Tafazine, Amizine, Bitemol, Gesapun, Herboxy, Printop, Radocon, Radokor, Simadex, Herbex, Zeapur

Molecular Formula: C7H12ClN5Molecular Weight: 201.656680 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: ODCWYMIRDDJXKW-UHFFFAOYSA-N

• Simetryn
IUPAC Name: 2-N,4-N-diethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine | CAS Registry Number: 1014-70-6
Synonyms: Symetryne, Cymetrin, GY-Bon, SIMETRYNE, Caswell No. 094B, Simetryn [BSI:ISO], Simetryne [ISO-French], PS381_SUPELCO, Oprea1_733762, 45660_RIEDEL, 45660_FLUKA, CHEBI:34976, EINECS 213-801-7, EPA Pesticide Chemical Code 294300, NSC 163051, CID13905, BRN 0011728, NSC163051, s-Triazine, 2,4-bis(ethylamino)-6-(methylthio)-, ZINC01635501

Molecular Formula: C8H15N5SMolecular Weight: 213.303200 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: MGLWZSOBALDPEK-UHFFFAOYSA-N

• Sodium 1-Naphthylamine-4-Sulfonate
IUPAC Name: sodium 4-aminonaphthalene-1-sulfonate | CAS Registry Number: 130-13-2
Synonyms: Naphthemol, Naphthionine, Sodium naphthionate, 1,4-Naphthionic monosodium salt, NSC 168, Sodium 1-naphthylamine-4-sulfonate, EINECS 204-975-5, CID8529, Sodium 1-aminonaphthalene-4-sulfonate, Sodium 4-aminonaphthalene-1-sulphonate, Sodium alpha-naphthylamine-4-sulfonate, AI3-19501, p-NAPHTHIONIC ACID, Na SALT, TECH, 4-Amino-1-napthalene sulfonic acid, sodium salt, LS-188105, ST5411930, 4-Amino-1-naphthalene sulfonic acid, sodium salt, 1-Naphthalenesulfonic acid, 4-amino-, monosodium salt, 4-AMINO-1-NAPHTHALENESULFONIC ACID, NA SALT, 14047-61-1

Molecular Formula: C10H8NNaO3SMolecular Weight: 245.230190 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: JWSRMCCRAJUMLX-UHFFFAOYSA-M

• Sodium 3,5,6-Trichloro-2-Pyridinol
IUPAC Name: sodium 3,5,6-trichloropyridin-1-id-2-one | CAS Registry Number: 37439-34-2
Synonyms: 6515-38-4 (Parent), EINECS 253-506-0, Sodium 3,5,6-trichloropyridin-2-olate, 3,5,6-Trichloro-2-pyridinol, sodium salt, TL8002751, 2(1H)-Pyridinone, 3,5,6-trichloro-, sodium salt, 3,5,6-TRICHLORO-2(1H)-PYRIDINONE SODIUM SALT, 2(1H)-Pyridinone, 3,5,6-trichloro-, sodium salt (1:1)

Molecular Formula: C5HCl3NNaOMolecular Weight: 220.416310 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: JAWYJCBOOSFRKD-UHFFFAOYSA-M

• Stavudine
IUPAC Name: 1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione | CAS Registry Number: 3056-17-5
Synonyms: stavudine, sanilvudine, Zerit, ddeThd, ddeTyd, Zent, Zerut XR, D 4T (nucleoside), Stavudinum [INN-Latin], Sanilvudine (JAN), Dideoxydidehydrothymidine, Estavudina [INN-Spanish], Zerit (TN), 2',3'-Didehydro-3'-deoxythymidine, Stavudine (USAN/INN), 2',3'-Anhydrothymidine, Stavudine [USAN:BAN:INN], 3'-Deoxy-2'-thymidinene, 2'-Thymidinene, 3'-deoxy-, D 4T

Molecular Formula: C10H12N2O4Molecular Weight: 224.213280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: XNKLLVCARDGLGL-JGVFFNPUSA-N

• Sulcotrione
IUPAC Name: 2-(2-chloro-4-methylsulfonylbenzoyl)cyclohexane-1,3-dione | CAS Registry Number: 99105-77-8
Synonyms: Sulcotrione [ISO], 46318_RIEDEL, 46318_FLUKA, MolPort-003-933-774, CID91760, SC 0051, 2-(2-Chloro-4-methanesulfonylbenzoyl)-1,3-cyclohexanedione, 1,3-Cyclohexanedione, 2-(2-chloro-4-(methylsulfonyl)benzoyl)-, 2-[2-Chloro-4-(methylsulfonyl)benzoyl]-1,3-cyclohexanedione, 114680-61-4, 123174-48-1

Molecular Formula: C14H13ClO5SMolecular Weight: 328.768020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: PQTBTIFWAXVEPB-UHFFFAOYSA-N

• Sulfometuron-methyl
IUPAC Name: methyl 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate | CAS Registry Number: 74222-97-2
Synonyms: OUST, SULFOMETURON METHYL, sulfometuron-methyl, Sulphometuron methyl, Caswell No. 561D, Sulfometuron methyl ester, DPX-T5648, Aa 5648, DPX 5648, C15H16N4O5S, EINECS 277-780-6, AIDS040010, EPA Pesticide Chemical Code 122001, AIDS-040010, BRN 0965602, LS-37254, C10955, 5-25-10-00233 (Beilstein Handbook Reference), Benzoic acid, o-((3-(4,6-dimethyl-2-pyrimidinyl)ureido)sulfonyl)-, methyl ester, Methyl 2-(((((4,6-dimethyl-2-pyrimidinyl)amino)carbonyl)amino)sulphonyl)benzoate

Molecular Formula: C15H16N4O5SMolecular Weight: 364.376340 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: ZDXMLEQEMNLCQG-UHFFFAOYSA-N

• Sulfosulfuron
IUPAC Name: 1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonylurea | CAS Registry Number: 141776-32-1
Synonyms: Sulfosulfuron [ISO], 33307_RIEDEL, LS-80328, 1-(4,6-Dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylimidazol[1,2-a]pyridin-3-ylsulfonyl)urea

Molecular Formula: C16H18N6O7S2Molecular Weight: 470.480120 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 11

InChIKey: RBSXHDIPCIWOMG-UHFFFAOYSA-N

• Sulisobenzone
IUPAC Name: 5-(benzoyl)-4-hydroxy-2-methoxybenzenesulfonic acid | CAS Registry Number: 4065-45-6
Synonyms: Sungard, Sulisobenzona, Sulisobenzonum, Uvinul, Uval, Benzophenone 4, Benzophenone-4, Uval sodium salt, Uvinuc ms 40, Seesorb 101S, Syntase 230, Uvinul MS 40, UV Absorber HMBS, Sungard (TN), HMBS, SULISOBENZENE, Uvinul MS-40 substanz, Spectra-Sorb UV 284, Uval (*sodium salt*), Sulisobenzone [USAN:INN]

Molecular Formula: C14H12O6SMolecular Weight: 308.306480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: CXVGEDCSTKKODG-UHFFFAOYSA-N

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

Molecular Formula: C14H21N3O2SMolecular Weight: 295.400440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: KQKPFRSPSRPDEB-UHFFFAOYSA-N

• Tamsulosin
IUPAC Name: 5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide | CAS Registry Number: 106133-20-4
Synonyms: TAMSULOSIN, Flomax, Tamsulosine [INN-French], Tamsulosinum [INN-Latin], Tamsulosin [INN:BAN], Tamsulosina [INN-Spanish], TAMSULOSIN HYDROCHLORIDE, CHEBI:9398, STOCK6S-44591, C20H28N2O5S, DB00706, NCGC00167442-01, LS-31578, C07124, (R)-5-(2-((2-(2-Ethoxyphenoxy)ethyl)amino)propyl)-2-methoxybenzenesulfonamide, Benzenesulfonamide, 5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-2-methoxy-, (R)-, 5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-2-methoxybenzenesulfonamide, 5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxy-benzenesulfonamide, 5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide, 5-[(2R)-2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl]-2-methoxybenzenesulfonamide

Molecular Formula: C20H28N2O5SMolecular Weight: 408.511720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: DRHKJLXJIQTDTD-OAHLLOKOSA-N

• TDCPP
IUPAC Name: tris(1,3-dichloropropan-2-yl) phosphate | CAS Registry Number: 13674-87-8
Synonyms: Fyrol FR 2, Emulsion 212, Fyrol FR-2, CRP (fireproofing agent), CCRIS 6284, Tris(1,3-dichloroisopropyl)phosphate, HSDB 4364, PF 38, EINECS 237-159-2, Tris(1,3-dichloro-2-propyl)phosphate, PF 38/3, BRN 1715458, LS-798, Tris-(1,3-dichloro-2-propyl)-phosphate, Tri(beta,beta'-dichloroisopropyl)phosphate, TRIS(1,3-DICHLORO-2-PROPYL) PHOSPHATE, 1,3-Dichloro-2-propanol phosphate (3:1), 2-Propanol, 1,3-dichloro-, phosphate (3:1), Tris(1-chloromethyl-2-chloroethyl)phosphate, Tris-(1,3-dichloro-2-propyl)phosphate

Molecular Formula: C9H15Cl6O4PMolecular Weight: 430.904761 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: ASLWPAWFJZFCKF-UHFFFAOYSA-N

• Tebuconazole
IUPAC Name: 1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol | CAS Registry Number: 107534-96-3
Synonyms: Folicur, Ethyltrianol, Terbuconazole, Terbutrazole, Etiltrianol, Fenetrazole, Elite, Raxil, Preventol A 8, LYNX, Tebuconazole (+-), Tebuconazole [ISO], Tebuconazole (unspecified), BAY-HWG 1608, C16H22ClN3O, Tebuconazole Resp. HWG 1608, HWG 1608, HSDB 7448, AIDS108285, AIDS-108285

Molecular Formula: C16H22ClN3OMolecular Weight: 307.818380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: PXMNMQRDXWABCY-UHFFFAOYSA-N

• Tebufenozide
IUPAC Name: N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide | CAS Registry Number: 112410-23-8
Synonyms: nchembio858-comp1, Tebufenozide [ISO], nchembio852-compR32, HSDB 7050, 46095_RIEDEL, CHEBI:38452, CID91773, RH 5992, RH-5992, ZINC01092859, NCGC00142339-01, NCGC00142339-02, NCGC00142339-03, LS-37208, ST069559, EE4128503, N-tert-Butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide, N'-(t-Butyl)-N'-(3,5-dimethylbenzoyl)-N-(4-ethylbenzoyl)hydrazine, 3,5-Dimethylbenzoic acid 1-(1,1-dimethylethyl)-2-(4-ethylbenzoyl)hydrazide, Benzoic acid, 3,5-dimethyl-, 1-(1,1-dimethylethyl)-2-(4-ethylbenzoyl)hydrazide

Molecular Formula: C22H28N2O2Molecular Weight: 352.469920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QYPNKSZPJQQLRK-UHFFFAOYSA-N

• Tebufenpyrad
IUPAC Name: N-[(4-tert-butylphenyl)methyl]-4-chloro-5-ethyl-2-methylpyrazole-3-carboxamide | CAS Registry Number: 119168-77-3
Synonyms: Pyranica, Tebufenpyrad [ISO], HSDB 7271, 46438_RIEDEL, CHEBI:9422, MK239, 46438_FLUKA, MK 239, CID86354, AC 801757, NCGC00168338-01, LS-128147, C11126, N-(4-t-Butylbenzyl)-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide, 1H-Pyrazole-5-carboxamide, 4-chloro-N-((4-(1,1-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-, 4-Chloro-N-((4-(1,1-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide, N-(4-tert-butylbenzyl)-4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide, 4-Chloro-N-(4-tert-butylbenzyl)-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide, 1H-Pyrazole-5-carboxamide,4-chloro-N-((4-(1,1-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-

Molecular Formula: C18H24ClN3OMolecular Weight: 333.855660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZZYSLNWGKKDOML-UHFFFAOYSA-N

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

Molecular Formula: C33H30N4O2Molecular Weight: 514.616900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: RMMXLENWKUUMAY-UHFFFAOYSA-N

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

Molecular Formula: C6H6N6O2Molecular Weight: 194.150840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: BPEGJWRSRHCHSN-UHFFFAOYSA-N

• Tempol
IUPAC Name: 1-$l^{1}-oxidanyl-2,2,6,6-tetramethylpiperidin-4-ol | CAS Registry Number: 2226-96-2
Synonyms: tempol, Tanol, 4-Oxypiperidol, Nitroxyl 2, 4-Hydroxy-TEMPO, TMPN, HyTEMPO, TPL cpd, HOTMP, Tetramethylpiperidino-N-oxyl, Tetramethylpiperidinol N-oxyl, CCRIS 4555, NR 1, 176141_ALDRICH, C9H19NO2, EINECS 218-760-9, NSC 142784, 2,2,6,6-Tetramethyl-4-piperidinol-N-oxyl, 2,2,6,6-Tetramethylpiperidinol-4-oxyl-1, N-Oxyl-2,2,6,6-tetramethylpiperidine

Molecular Formula: C9H18NO2Molecular Weight: 172.244720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: UZFMOKQJFYMBGY-UHFFFAOYSA-N

• Terazosin
IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone | CAS Registry Number: 63590-64-7
Synonyms: terazosin, Terazosine, Fosfomic, Flumarc, Vasomet, Blavin, Hytrin, Terazosin HCl, Trazosin HCl, Terazosin hydrochloride, Terazosine [INN-French], Terazosinum [INN-Latin], Terazosina [INN-Spanish], Terazosin [INN:BAN], Abbott 45975, Prestwick0_000751, Prestwick1_000751, Prestwick2_000751, Prestwick3_000751, Lopac0_001138

Molecular Formula: C19H25N5O4Molecular Weight: 387.432900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: VCKUSRYTPJJLNI-UHFFFAOYSA-N

• 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: C21H26ClNMolecular Weight: 327.890840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: BWMISRWJRUSYEX-SZKNIZGXSA-N


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