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Wuhan Pharma Chemical Co., Ltd.

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• Toltrazuril
IUPAC Name: 1-methyl-3-[3-methyl-4-[4-(trifluoromethylsulfanyl)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione | CAS Registry Number: 69004-03-1
Synonyms: Baycox, Toltrazurilum [Latin], Toltrazurilo [Spanish], Bay-i 9142, Toltrazuril (USAN/INN), Toltrazuril [USAN:BAN:INN], 34000_RIEDEL, BAY i 9142, BAY i-9142, C18H16F3N3O4S, AIDS093046, AIDS-093046, CID68591, LS-176716, D06187, 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1-methyl-3-(3-methyl-4-(4-((trifluoromethyl)thio)phenoxy)phenyl)-, 1-Methyl-3-(4-(p-((trifluoromethyl)thio)phenoxy)-m-tolyl)-s-triazine-2,4,6(1H,3H,5H)-trione, 1-Methyl-3-{3-methyl-4-[4-(trifluoromethylthio)phenoxy]phenyl}-1,3,5-triazine-2,4,6(1H,3H,5H)-trione

Molecular Formula: C18H14F3N3O4SMolecular Weight: 425.381670 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: OCINXEZVIIVXFU-UHFFFAOYSA-N

• Topiramate
Synonyms: topiramate, Topamax, Epitomax, Topamax Sprinkle, Topimax, Topina, Topiramic acid, Tipiramate [French], Tipiramato [Spanish], topiramatum [Latin], Topiramate (TPM), Topamax (TN), Topiramatum [INN-Latin], Topiramate / Placebo, Topiramato [INN-Spanish], McN-4853, Cilag brand of topiramate, Ortho brand of topiramate, Spectrum2_001128, McN 4853

Molecular Formula: C12H21NO8SMolecular Weight: 339.362040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 9

InChIKey: KJADKKWYZYXHBB-XBWDGYHZSA-N

• Triclabendazole
IUPAC Name: 6-chloro-5-(2,3-dichlorophenoxy)-2-methylsulfanyl-1H-benzimidazole | CAS Registry Number: 68786-66-3
Synonyms: Fasinex, Egaten, Fasinex (TN), Triclabendazole (INN), Triclabendazole [BAN:INN], Triclabendazol [INN-Spanish], Triclabendazolum [INN-Latin], C14H9Cl3N2OS, Oprea1_236106, MLS000759473, MLS000876812, MLS001424101, CCRIS 8988, STOCK1S-27121, CGA 89317, CGA-89317, ZINC00538495, ZINC01444556, NCGC00164610-01, CPD000466357

Molecular Formula: C14H9Cl3N2OSMolecular Weight: 359.658060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: NQPDXQQQCQDHHW-UHFFFAOYSA-N

• Triflusal
IUPAC Name: 2-acetyloxy-4-(trifluoromethyl)benzoic acid | CAS Registry Number: 322-79-2
Synonyms: Tecnosal, Disgren, Triflux, Triflusal [INN], Triflusal (INN), Prestwick_851, Triflusalum [INN-Latin], Prestwick0_000528, Prestwick1_000528, Prestwick2_000528, Prestwick3_000528, BSPBio_000515, SPBio_002436, BPBio1_000567, C10H7F3O4, EINECS 206-297-5, 4-Trifluoromethylsalicylic acid acetate, UR 1501, 2-Acetoxy-4-trifluoromethylbenzoic acid, BRN 2945374

Molecular Formula: C10H7F3O4Molecular Weight: 248.155390 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: RMWVZGDJPAKBDE-UHFFFAOYSA-N

• Trimebutine
IUPAC Name: [2-(dimethylamino)-2-phenylbutyl] 3,4,5-trimethoxybenzoate | CAS Registry Number: 39133-31-8
Synonyms: trimebutine, Debridat, Trimebutine maleate, Trimebutinum [INN-Latin], Trimebutine maleate salt, Trimebutino [INN-Spanish], T6159_SIGMA, Trimebutine [BAN:DCF:INN], Trimebutine [INN:BAN:DCF], C22H29NO5, EINECS 254-309-2, CID5573, TM-906, ST075206, LS-174771, 2-Dimethylamino-2-phenylbutyl 3,4,5-trimethoxybenzoat, Benzoic acid, 3,4,5-trimethoxy-, 2-(dimethylamino)-2-phenylbutyl ester, 2-(dimethylamino)-2-phenylbutyl 3,4,5-tris(methyloxy)benzoate, 3,4,5-Trimethoxybenzoic acid 2-(dimethylamino)-2-phenylbutyl ester, beta-(Dimethylamino)-beta-ethylphenethyl alcohol 3,4,5-trimethoxybenzoate (ester)

Molecular Formula: C22H29NO5Molecular Weight: 387.469360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: LORDFXWUHHSAQU-UHFFFAOYSA-N

• Troxerutin
IUPAC Name: 2-[3,4-bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-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: 7085-55-4
Synonyms: Trihydroxyethylrutin, Troxerutin (INN), Ambap2473, 91950_FLUKA, 3',4',7-Tris[O-(2-hydroxyethyl)]rutin, D07180

Molecular Formula: C33H42O19Molecular Weight: 742.675180 [g/mol]
H-Bond Donor: 10H-Bond Acceptor: 19

InChIKey: IYVFNTXFRYQLRP-VVSTWUKXSA-N

• Tylosin tartrate
IUPAC Name: 2,3-dihydroxybutanedioic acid;2-[6-[(2R)-5-[(2R,4R)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde | CAS Registry Number: 74610-55-2
Synonyms: tylosin tartrate

Molecular Formula: C50H83NO23Molecular Weight: 1066.200 [g/mol]
H-Bond Donor: 9H-Bond Acceptor: 24

InChIKey: ICVKYYINQHWDLM-AJUJHWAHSA-N

• Tylvalosin tartrate
IUPAC Name: [(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6R)-6-[[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-4-acetyloxy-16-ethyl-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate;(2R,3R)-2,3-dihydroxybutanedioic acid | CAS Registry Number: 63428-13-7
Synonyms: UNII-AL5667FY0W, Tylvalosin tartrate (USAN), Tylvalosin tartrate [USAN], TYLVALOSIN TARTRATE, Aiviosin, Aivlosin, Aiviosin [veterinary] (TN), AL5667FY0W, D10034, Tylosin, 3-acetate 4B-(3-methylbutanoate), (2R,3R)-2,3-dihydroxybutanedioate salt, (4R,5S,6S,7R,9R,11E,13E,15R,16R)-15-(((6-Deoxy-2,3-di-O-methyl-beta-D-allopyranosyl)oxy)methyl)-6-((3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-4-O-(3-methylbutanoyl)-alpha-L-ribo-hexopyranosyl)-3-(dimethylamino)-beta-D-glucopyranosyl)oxy)-16-ethyl- 5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-4-yl acetate (2R,3R)-2,3-dihydroxybutanedioate

Molecular Formula: C57H93NO25Molecular Weight: 1192.340020 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 26

InChIKey: OLLSDNUHBJHKJS-XKORHJEPSA-N

• Umifenovir hydrochloride
IUPAC Name: ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate hydrate hydrochloride | CAS Registry Number: 131707-23-8
Synonyms: Arbidol, arbidole, C22H25BrN2O3S.HCl.H2O, LS-82546, 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-methyl-2-((phenylthio)methyl)-, ethyl ester, moonohydrochloride, 1-methyl-2-((phenylthio)methyl)-3-carbethoxy-4-((dimethylamino)methyl)-5-hydroxy-6-bromindole hydrochloride, 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-methyl-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride, hydrate

Molecular Formula: C22H28BrClN2O4SMolecular Weight: 531.890720 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: PLWQHPWNKPKQJT-UHFFFAOYSA-N

• Urapidil
IUPAC Name: 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethylpyrimidine-2,4-dione | CAS Registry Number: 34661-75-1
Synonyms: urapidil, Ebrantil, Eupressyl, Mediatensyl, Uraprene, Ebrantil (TN), Urapidil hydrochloride, Urapidilum [INN-Latin], Spectrum_001360, Tocris-1772, SpecPlus_000683, Lopac-U-100, Urapidil [BAN:INN:JAN], Prestwick0_000905, Prestwick1_000905, Prestwick2_000905, Prestwick3_000905, Spectrum2_001172, Spectrum3_001557, Spectrum4_000233

Molecular Formula: C20H29N5O3Molecular Weight: 387.475960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: ICMGLRUYEQNHPF-UHFFFAOYSA-N

• Valacyclovir hydrochloride
IUPAC Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate hydrochloride | CAS Registry Number: 124832-27-5
Synonyms: Valtrex, valacyclovir, Valaciclovir, Developm, L-valylacyclovir, Valaciclovir hydrochloride, Valtrex (TN), 256U87 hydrochloride, acyclovir, L-valyl ester, MLS001401440, C13H20N6O4.HCl, SPECTRUM1505368, Valacyclovir hydrochloride [USAN], Valaciclovir hydrochloride (JAN), BW-256U87, Valacyclovir hydrochloride (USAN), BW256U87, DRG-0119, BW 256U87, CPD000469208

Molecular Formula: C13H21ClN6O4Molecular Weight: 360.796640 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 9

InChIKey: ZCDDBUOENGJMLV-QRPNPIFTSA-N

• Valsartan
IUPAC Name: (2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid | CAS Registry Number: 137862-53-4
Synonyms: valsartan, Diovan, Exforge, Mixture Name, Diovan Hct, Diovan (TN), Valsartan [USAN:INN], Spectrum_001796, Spectrum2_001120, Spectrum3_001831, Spectrum4_000749, Spectrum5_001582, BSPBio_003501, KBioGR_001078, KBioSS_002289, MLS000759423, MLS001424088, Valsartan (JAN/USAN/INN), SPECTRUM1505209, SPBio_001260

Molecular Formula: C24H29N5O3Molecular Weight: 435.518760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: ACWBQPMHZXGDFX-QFIPXVFZSA-N

• Vancomycin hydrochloride
Synonyms: Prestwick_816, VANCOMYCIN HYDROCHLORIDE, V8138_SIAL, EU-0101267, Vancomycin hydrochloride from Streptomyces orientalis

Molecular Formula: C66H76Cl3N9O24Molecular Weight: 1485.714540 [g/mol]
H-Bond Donor: 20H-Bond Acceptor: 26

InChIKey: LCTORFDMHNKUSG-XTTLPDOESA-N

• Varenicline Tartrate
Synonyms: Chantix, Varenicline tartrate, Chantix (TN), Varenicline tartrate (USAN), CID9906942, D06282

Molecular Formula: C17H19N3O6Molecular Weight: 361.349260 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 9

InChIKey: TWYFGYXQSYOKLK-LREBCSMRSA-N

• Venlafaxine hydrochloride
IUPAC Name: 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol hydrochloride | CAS Registry Number: 99300-78-4
Synonyms: Effexor, Effexor XR, venlafaxine, Trevilor, Dobupal, Efectin, Vandral, Efexor, Venlafaxine EA, Venlafaxin HCL, Effexor LP, Effexor XL, VENLAFAXINE HCl, Effexor (TN), C17H27NO2.HCl, HSDB 6699, MLS001401454, Venlafaxine hydrochloride [USAN], Wy-45030, BVF-012

Molecular Formula: C17H28ClNO2Molecular Weight: 313.862720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: QYRYFNHXARDNFZ-UHFFFAOYSA-N

• Vitamin B12
IUPAC Name: cobalt(3+); [(2R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl phosphate; cyanide | CAS Registry Number: 68-19-9
Synonyms: cyanocobalamin, Erythrotin, Mecobalamin, Anacobin, Berubigen, Cytobion, Megabion, Nagravon, Rubripca, Vitarubin, Depinar, Ducobee, Hepavis, Poyamin, Sytobex, Vibalt, vitamin B12, CN-Cbl, Cyano-B12, AIDS001650

Molecular Formula: C63H88CoN14O14PMolecular Weight: 1355.365181 [g/mol]
H-Bond Donor: 9H-Bond Acceptor: 22

InChIKey: FDJOLVPMNUYSCM-JLKASCPDSA-L

• Vitamin D2
IUPAC Name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol | CAS Registry Number: 50-14-6
Synonyms: ergocalciferol, Calciferol, Viosterol, Calciferolum, Crystallina, Mulsiferol, Condocaps, Deltalin, Ercalciol, Ergorone, Fortodyl, Hyperkil, Mykostin, Radiostol, Radsterin, Sterogyl, Vigantol, Davitin, Deratol, Detalup

Molecular Formula: C28H44OMolecular Weight: 396.648360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: MECHNRXZTMCUDQ-RKHKHRCZSA-N

• Vitamin D3
IUPAC Name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol | CAS Registry Number: 67-97-0
Synonyms: cholecalciferol, Calciol, Colecalciferol, Ricketon, Trivitan, Vigorsan, Deparal, Colecalcipherol, Arachitol, Delsterol, Vigantol, Quintox, Rampage, Ebivit, Oleovitamin D3, Cholecalciferolum, D3-Vicotrat, D3-Vigantol, FeraCol, Vi-de-3-hydrosol

Molecular Formula: C27H44OMolecular Weight: 384.637660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: QYSXJUFSXHHAJI-YRZJJWOYSA-N

• Vitamin K
IUPAC Name: 2-methyl-3-(3,7,11,15-tetramethylhexadec-2-enyl)naphthalene-1,4-dione | CAS Registry Number: 12001-79-5
Synonyms: phytonadione, Phylloquinone, Phytomenadione, Phytylmenadione, Phyllochinon, 3-Phytylmenadione, VITAMIN K, alpha-Phylloquinone, Vitamin K (generic), VITAMIN K1, Antihemorrhagic vitamin, Phythyl-menadion (GERMAN), 2', 3'-trans-Vitamin K1, EINECS 234-408-7, 2-Methyl-3-phythyl-1,4-naphthochinon, 2-Methyl-3-phytyl-1,4-naphthoquinone, DB01022, LS-162266, 2-METHYL-3-PHYTYL-14-NAPHTHOQUINONE, D014812

Molecular Formula: C31H46O2Molecular Weight: 450.695740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MBWXNTAXLNYFJB-UHFFFAOYSA-N

• Vitamin K1
IUPAC Name: 2-methyl-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione | CAS Registry Number: 84-80-0
Synonyms: phytonadione, Phylloquinone, Phytomenadione, Mephyton, Phytylmenadione, Aquamephyton, Kinadion, Konakion, Monodion, Kephton, Aqua mephyton, Phyllochinonum, Phytonadionum, Synthex P, Mono-Kay, VITAMIN K1, Combinal K1, Kativ N, K-Ject, Phyllochinon

Molecular Formula: C31H46O2Molecular Weight: 450.695740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MBWXNTAXLNYFJB-LKUDQCMESA-N

• Vitamin K4
IUPAC Name: (4-acetyloxy-2-methylnaphthalen-1-yl) acetate | CAS Registry Number: 573-20-6
Synonyms: Acetomenaphthone, Kapathrom, Kappaxan, Adaprin, Kapilin, Kapilon, Kayvite, Pafavit, Prokayvit oral, Kativ powder, Davitamon-K, Vitavel K, Davitamon-K-oral, Menadiol diacetate, Acetomenaphtone, Vitamin K diacetate, Menadiol di(acetate), Acetomenaphthone [BAN], Acetomenaphtone (JAN), 1,4-Diacetoxy-2-methylnaphthalene

Molecular Formula: C15H14O4Molecular Weight: 258.269260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: RYWSYCQQUDFMAU-UHFFFAOYSA-N

• Voriconazole
IUPAC Name: (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol | CAS Registry Number: 137234-62-9
Synonyms: Vfend, Vfend (TN), Pfizer brand of voriconazole, MLS000759464, MLS001424082, Voriconazole (JAN/USAN/INN), Voriconazole [USAN:BAN:INN], Voriconazole [USAN:INN:BAN], DRG-0301, AIDS045515, AIDS-045515, UK-109496, UK-109,496, DB00582, CPD000466350, SAM001246664, SMR000466350, LS-181799, TL8000858, UK 109496

Molecular Formula: C16H14F3N5OMolecular Weight: 349.310470 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 9

InChIKey: BCEHBSKCWLPMDN-MGPLVRAMSA-N

• xanthanol
IUPAC Name: 9H-xanthen-9-ol | CAS Registry Number: 90-46-0
Synonyms: Xanthydrol, Xanthanol, 9-Hydroxyxanthene, 9-Xanthydrol, Xanthen-9-ol, 9H-Xanthen-9-ol, Xanthene, hydroxy-, 9-Xanthenol, Xanthydrol solution, CCRIS 1640, Oprea1_119099, 252573_ALDRICH, NSC 4038, 95580_FLUKA, 95582_FLUKA, EINECS 201-996-1, NSC4038, AIDS017826, WLN: T C666 BO IHJ IQ, AIDS-017826

Molecular Formula: C13H10O2Molecular Weight: 198.217300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: JFRMYMMIJXLMBB-UHFFFAOYSA-N

• Zaltoprofen
IUPAC Name: 2-(5-oxo-6H-benzo[b][1]benzothiepin-8-yl)propanoic acid | CAS Registry Number: 89482-00-8
Synonyms: zaltoprofen, Peon, Soleton, Zaltoprofen (+-)-, Peon (TN), Zaltoprofen (unspecified), Zaltoprofen [INN:JAN], Zaltoprofen (JP15/INN), Zaltoprofene [INN-French], Zaltoprofenum [INN-Latin], Zaltoprofeno [INN-Spanish], CN 100, CN-100, C17H14O3S, EINECS 277-973-5, ZC-102, LS-61331, D01547, 10,11-Dihydro-alpha-methyl-10-oxodibenzo(b,f)thiepin-2-acetic acid, (+-)-2-(10,11-Dihydro-10-oxodibenzo(b,f)thiepin-2-yl)propionic acid

Molecular Formula: C17H14O3SMolecular Weight: 298.356260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: MUXFZBHBYYYLTH-UHFFFAOYSA-N

• Zidovudine
IUPAC Name: 1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione | CAS Registry Number: 30516-87-1
Synonyms: zidovudine, Azidothymidine, Retrovir, Combivir, Trizivir, antiviral, Compound S, Aztec, Mixture Name, 3'-Azido-3'-deoxythymidine, AZT Antiviral, Propolis+AZT, azidodeoxythymidine, AZT, Antiviral, Zidovudinum [Latin], 3'-Azidothymidine, AZT (Antiviral), Zidovudina [Spanish], Retrovir (TN), Cpd S

Molecular Formula: C10H13N5O4Molecular Weight: 267.241320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: HBOMLICNUCNMMY-XLPZGREQSA-N

• Zilpaterol HCL
Synonyms: Zilpaterol hydrochloride, Zilpaterol HCl, Zilmax, S1406_Selleck, UNII-EX8IEP25JU, SureCN135498, CHEMBL513390, AKOS015967220, RP17805, KB-77867, X5887, 1044281-58-4, Imidazo(4,5,1-jk)(1)benzazepin-2(1h)-one, 4,5,6,7-tetrahydro-7-hydroxy-6-((1-methylethyl)amino)-, monohydrochloride, Imidazo[4,5,1-jk][1]benzazepin-2(1H)-one,4,5,6,7-tetrahydro-7-hydroxy-6-[(1-methylethyl)amino]-,hydrochloride,(6R,7R)-, Rac-(6R,7R)-7-hydroxy-6-(isopropylamino)-4,5,6,7-tetrahydroimidazo(4,5,1-jk)(1)benzazepin-2(1h)-one hydrochloride

Molecular Formula: C14H20ClN3O2Molecular Weight: 297.780500 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 3

InChIKey: GIEFXLLRTJNFGT-LOCPCMAASA-N

• Zinc Glycinate
IUPAC Name: zinc 2-aminoacetate | CAS Registry Number: 14281-83-5
Synonyms: Zinc glycinate, Bis(glycinato-N,O)zinc, (T-4)-Bis(glycinato-N,O)zinc, EINECS 238-173-1, CID151910

Molecular Formula: C4H8N2O4ZnMolecular Weight: 213.526320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: UOXSXMSTSYWNMH-UHFFFAOYSA-L

• Zoledronic Acid
IUPAC Name: (1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid | CAS Registry Number: 118072-93-8
Synonyms: Zoledronic acid, Zoledronate, Zometa, Aclasta, Reclast, Bisphosphonate 3, Zometa (Novartis), Zoledronic acid [USAN:INN], STOCK1N-71622, CHEBI:46557, Novartis brand of zoledronic acid, CGP 42446, CGP 42446A, CID68740, CGP-42446, NSC721517, (1-Hydroxy-2-imidazol-1-ylethylidene)diphosphonic acid, CGP 42'446, CGP-42'446, DB00399

Molecular Formula: C5H10N2O7P2Molecular Weight: 272.089622 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 9

InChIKey: XRASPMIURGNCCH-UHFFFAOYSA-N

• (+/-)-1-N-Boc-piperidine-3-ethylamine
IUPAC Name: tert-butyl 3-(2-aminoethyl)piperidine-1-carboxylate | CAS Registry Number: 259180-77-3
Synonyms: 3-(2-Aminoethyl)-1-Boc-piperidine, n-boc-piperidine-3-ethylamine, Tert-butyl 3-(2-aminoethyl)piperidine-1-carboxylate, n-boc-3-aminoethyl-piperidine, AG-E-80390, DL-3-(2-Aminoethyl)-1-N-Boc-piperidine, PubChem13394, AC1NM9RX, SureCN309109, AC1Q1N3L, Jsp005108, CTK3J8356, MolPort-000-000-379, ACT04926, ANW-48357, RW1103, SBB070593, AKOS005258710, MCULE-4632580686, RP05469

Molecular Formula: C12H24N2O2Molecular Weight: 228.331160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GYLAYRXNMUUXJS-UHFFFAOYSA-N

• (+/-)-Benzyloxycarbonyl-alpha-phosphonoglycine trimethyl ester
IUPAC Name: methyl 2-dimethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate | CAS Registry Number: 88568-95-0
Synonyms: 376353_ALDRICH, ()-Trimethyl Z-alpha-phosphonoglycinate, Z-alpha-Phosphonoglycine trimethyl ester, ()-Z-alpha-Phosphonoglycine trimethyl ester, N-Benzyloxycarbonyl trimethylphosphonoglycine, UX00003621, ()-Methyl 2-benzyloxycarbonylamino-2-(dimethoxyphosphinyl) acetate

Molecular Formula: C13H18NO7PMolecular Weight: 331.258281 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: GSYSFVSGPABNNL-UHFFFAOYSA-N

• (1S,2S)-(+)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol
IUPAC Name: (1S,2S)-2-amino-1-(4-nitrophenyl)propane-1,3-diol | CAS Registry Number: 2964-48-9
Synonyms: Ambap1612, 471674_ALDRICH, NSC12466, L-()-threo-2-Amino-1-(4-nitrophenyl)-1,3-propanediol, (1S,2S)-()-2-Amino-1-(4-nitrophenyl)-1,3-propanediol, InChI=1/C9H12N2O4/c10-8(5-12)9(13)6-1-3-7(4-2-6)11(14)15/h1-4,8-9,12-13H,5,10H2/t8-,9-/m0/s

Molecular Formula: C9H12N2O4Molecular Weight: 212.202580 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: OCYJXSUPZMNXEN-IUCAKERBSA-N

• (R)-(+)-4-Hydroxy-2-Pyrrolidinone
IUPAC Name: (4R)-4-hydroxypyrrolidin-2-one | CAS Registry Number: 22677-21-0
Synonyms: 479160_ALDRICH, (R)-beta-Hydroxy-gamma-butyrolactam, (R)-()-4-Hydroxy-2-pyrrolidinone, (R)-(+)-4-Hydroxy-2-pyrrolidinone, TL8001902

Molecular Formula: C4H7NO2Molecular Weight: 101.103880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: IOGISYQVOGVIEU-GSVOUGTGSA-N

• (R)-(-)-2-Methylpiperazine
IUPAC Name: (2R)-2-methylpiperazine | CAS Registry Number: 75336-86-6
Synonyms: R-2-Methylpiperazine, 397164_ALDRICH, NSC5277, 2-METHYL PIPERAZINE, ANHYDROUS, CID7330434, (R)-(−)-2-Methylpiperazine, FS011294, TL8005161, InChI=1/C5H12N2/c1-5-4-6-2-3-7-5/h5-7H,2-4H2,1H, 109-07-9

Molecular Formula: C5H12N2Molecular Weight: 100.162180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: JOMNTHCQHJPVAZ-RXMQYKEDSA-N

• (R)-(-)-Ethyl nipecotate
IUPAC Name: ethyl (3R)-piperidine-3-carboxylate | CAS Registry Number: 25137-01-3

Molecular Formula: C8H15NO2Molecular Weight: 157.210200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: XIWBSOUNZWSFKU-SSDOTTSWSA-N

• (R)-1-Boc-3-(aminomethyl) piperidine
IUPAC Name: tert-butyl 3-(aminomethyl)piperidine-1-carboxylate | CAS Registry Number: 140645-23-4
Synonyms: ALBB-006382, SBB011302, (R)-1-Boc-3-(aminomethyl)piperidine, BAS 10155807, FS011279, tert-butyl 3-(aminomethyl)piperidine-1-carboxylate, 3-Aminomethyl-piperidine-1-carboxylic acid tert-butyl ester, 162167-97-7

Molecular Formula: C11H22N2O2Molecular Weight: 214.304580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: WPWXYQIMXTUMJB-UHFFFAOYSA-N

• (R)-1-Boc-3-aminopiperidine
IUPAC Name: tert-butyl (3R)-3-aminopiperidine-1-carboxylate | CAS Registry Number: 188111-79-7
Synonyms: (R)-3-Amino-1-N-BOC-piperidine, (r)3-amino-1-boc-piperidine, (R)-3-Amino-1-Boc-piperidine, tert-butyl (3R)-3-aminopiperidine-1-carboxylate, SBB028412, (R)-(-)-3-Amino-1-Boc-piperidine, AG-E-37005, (r)-tert-butyl-3-aminopiperidine-1-carboxylate, (r)-3-amino-piperidine-1-carboxylic acid tert-butyl ester, (r)-tert-butyl 3-aminopiperidine-1-carboxylate, (r)-n-boc-3-aminopiperidine, (s)3-amino-1-boc-piperidine, (R)-3-Amino-N-Boc-piperidine, (s)-tert-butyl 3-aminopiperidine-1-carboxylate, PubChem11528, SureCN181567, AC1LT3V0, AC1Q1N1Y, r-3-amino-1-boc-piperidine, (r)-1n-boc3-aminopiperidine

Molecular Formula: C10H20N2O2Molecular Weight: 200.278000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: AKQXKEBCONUWCL-MRVPVSSYSA-N

• (R)-1-Boc-piperazine-2-carboxylic acid
IUPAC Name: (2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid | CAS Registry Number: 278788-60-6
Synonyms: (R)-1-N-Boc-Piperazine-2-carboxylic acid, AG-E-89050, (R)-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid, (R)-Piperazine-1,2-dicarboxylic acid 1-tert-butyl ester, PubChem11693, SureCN1685922, CTK4G0383, MolPort-000-006-051, BH125, ACT08848, ANW-57959, FC0170, AKOS005259704, AKOS015911548, AC-2193, AM81369, RP05531, AK-29075, BR-29075, KB-02690

Molecular Formula: C10H18N2O4Molecular Weight: 230.260920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: MPOFEHGMWPHBSF-SSDOTTSWSA-N

• (R)-1-Boc-piperidine-3-carboxylic acid
IUPAC Name: (3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylate | CAS Registry Number: 163438-09-3
Synonyms: ZINC00403288

Molecular Formula: C11H18NO4-Molecular Weight: 228.264920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: NXILIHONWRXHFA-MRVPVSSYSA-M

• (r)-1-Boc-Pyrrolidine-3-Carboxylicacid
IUPAC Name: (2-propyl-1,2,4-triazol-3-yl)methanol | CAS Registry Number: 202931-85-9
Synonyms: 1H-1,2,4-TRIAZOLE-5-METHANOL, 1-PROPYL-, AGN-PC-01VLFJ, SureCN2647730, CTK4E3814, AKOS006294125, AB28082, AG-E-48703, KB-66590, 1H-1,2,4-Triazole-5-methanol,1-propyl-, FT-0660525, 1-Propyl-1H-[1,2,4]TRIAZOLE-5-methanol, (1-Propyl-1H-1,2,4-triazol-5-yl)methanol;, 1-PROPYL-1H-1,2,4-TRIAZOLE-5-METHANOL, (1-PROPYL-1H-1,2,4-TRIAZOL-5-YL)METHANOL, (2-PROPYL-2H-[1,2,4]TRIAZOL-3-YL)-METHANOL

Molecular Formula: C6H11N3OMolecular Weight: 141.171040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: OUXGHJCAIAMWRQ-UHFFFAOYSA-N

• (R)-1-N-Boc-3-(hydroxymethyl)piperidine
IUPAC Name: tert-butyl (3R)-3-(hydroxymethyl)piperidine-1-carboxylate | CAS Registry Number: 140695-85-8
Synonyms: (R)-1-Boc-3-(Hydroxymethyl)Piperidine, (R)-N-Boc-3-hydroxymethyl piperidine, (R)-1-Boc-3-(hyroxymethyl)piperidine, (R)-N-Boc-3-Piperidinemethanol, 1-Boc-3-Hyroxymethyl-Piperidine, AG-D-81470, (R)-N-Boc-3-(hydroxymethyl)piperidine, tert-butyl (3R)-3-(hydroxymethyl)piperidine-1-carboxylate, (3R)-1-(tert-Butoxycarbonyl)-3-(hydroxymethyl)piperidine, TERT-BUTYL (R)-3-HYDROXYMETHYLPIPERIDINE-1-CARBOXYLATE, PubChem11317, PubChem11323, AC1LTTJ1, BOC-R-PIP-3MEOH, SureCN344916, (R)-BOC-NIP-OL, AC1Q1N1X, KSC522G1J, Jsp002418, (s)-tert-butyl 3-(hydroxymethyl)tetrahydro-1(2h)-pyridinecarboxylate

Molecular Formula: C11H21NO3Molecular Weight: 215.289340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: OJCLHERKFHHUTB-SECBINFHSA-N

• (R)-1-tert-Butoxycarbonylpyrrolidine-3-methanol
IUPAC Name: tert-butyl (3R)-3-(hydroxymethyl)pyrrolidine-1-carboxylate | CAS Registry Number: 138108-72-2
Synonyms: (R)-1-Boc-3-Hydroxymethylpyrrolidine, (R)-tert-butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate, (R)-1-Boc-3-(hydroxymethyl)pyrrolidine, (R)-3-Hydroxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester, 1-Boc-3-hydroxymethyl-pyrrolidine, AG-D-77142, (R)-1-Boc-3-hydroxymethyl-pyrrolidine, tert-butyl (3R)-3-(hydroxymethyl)pyrrolidine-1-carboxylate, (R)-3-Hydroxymethylpyrrolidine-1-carboxylic acid tert-butyl ester, 1-Pyrrolidinecarboxylic acid, 3-(hydroxymethyl)-, 1,1-dimethylethyl ester, (3R)-, AC1LTTCF, PubChem11122, SureCN514696, N-BOC-D-BETA-PROLINOL, Jsp002288, CTK4C1089, MolPort-000-004-261, WT968, ACT08452, AC-867

Molecular Formula: C10H19NO3Molecular Weight: 201.262760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: HKIGXXRMJFUUKV-MRVPVSSYSA-N

• (R)-2-Methyl-pyrrolidine
IUPAC Name: (2R)-2-methylpyrrolidine | CAS Registry Number: 41720-98-3
Synonyms: 2-Methyl-pyrrolidine, Pyrrolidine, 2-methyl-, 2-METHYLPYRROLIDINE, 679097_ALDRICH, C-3166R, (R)-(−)-2-Methylpyrrolidine, InChI=1/C5H11N/c1-5-3-2-4-6-5/h5-6H,2-4H2,1H

Molecular Formula: C5H11NMolecular Weight: 85.147540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: RGHPCLZJAFCTIK-RXMQYKEDSA-N

• (R)-3-Boc-aminopiperidine
IUPAC Name: tert-butyl N-[(3R)-piperidin-3-yl]carbamate | CAS Registry Number: 309956-78-3
Synonyms: R-3-(Boc-amino)piperidine, FS011283, TL8002374

Molecular Formula: C10H20N2O2Molecular Weight: 200.278000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: WUOQXNWMYLFAHT-MRVPVSSYSA-N

• (R)-4-Cbz-2-methylpiperazine
IUPAC Name: benzyl (3R)-3-methylpiperazine-1-carboxylate | CAS Registry Number: 623586-00-5
Synonyms: (R)-benzyl 3-methylpiperazine-1-carboxylate, 4-CBZ-(R)-2-Methyl piperazine, (R)-1-CBZ-3-METHYL-PIPERAZINE, PubChem15223, SureCN13490134, (R)-1-CBz-3-methylpiperazine, CTK5B4952, ACT09922, AC-983, ANW-45213, AG-G-28950, AK-39041, KB-03360, KB-63141, (R)-benzyl-3-methylpiperazine-1-carboxylate, Benzyl(3R)-3-methylpiperazine-1-carboxylate, FT-0654118, W7439, B-1452, 1-Piperazinecarboxylicacid, 3-methyl-, phenylmethyl ester, (3R)-

Molecular Formula: C13H18N2O2Molecular Weight: 234.294220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: JRPIQMPFKMFAOX-LLVKDONJSA-N

• (R)-4-N-Boc-2-methylpiperazine
IUPAC Name: tert-butyl (3R)-3-methylpiperazine-1-carboxylate | CAS Registry Number: 163765-44-4
Synonyms: 674761_ALDRICH, (R)-1-Boc-3-methylpiperazine, (R)-4-Boc-2-methylpiperazine, 08571_FLUKA, (R)-2-Methyl-1-Boc-piperazine, FS011292, TL8006206, tert-Butyl (R)-3-methyl-1-piperazinecarboxylate

Molecular Formula: C10H20N2O2Molecular Weight: 200.278000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FMLPQHJYUZTHQS-MRVPVSSYSA-N

• (R)-N-Boc-3-pyrrolidineacetic acid
IUPAC Name: 2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]acetic acid | CAS Registry Number: 204688-60-8
Synonyms: (R)-(1-Boc-Pyrrolidin-3-yl)-acetic acid, (R)-2-(1-(tert-butoxycarbonyl)pyrrolidin-3-yl)acetic acid, r-1-boc-pyrrolidin-3-acetic acid, (r)-n-boc-pyrrolidine-3-acetic acid, AG-E-50076, (r)-(1-boc-pyrrolidin-3-yl)acetic acid, (R)-(1-Boc-Pyrrolidin-3-yl)-aceticacid, (R)-1-BOC-PYRROLIDINE-3-ACETIC ACID, (R)-N-Boc-3-(R)-(1-Boc-Pyrrolidin-3-yl)-aceticacid, PubChem13365, SureCN345306, AC1LT44F, CTK1A1792, MolPort-000-001-711, ACN-S001822, ACT09216, ANW-53952, RW1031, AC-6302, PB10325

Molecular Formula: C11H19NO4Molecular Weight: 229.272860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: SKEXQIJIXQSFRX-MRVPVSSYSA-N

• (R)-Piperidine-3-carboxylic acid ethyl ester hydrochloride
IUPAC Name: ethyl (3R)-piperidine-3-carboxylate;hydrochloride | CAS Registry Number: 37675-19-7
Synonyms: (R)-ethyl nipecotate hydrochloride, PubChem16883, SureCN5215224, CTK6F2871, (R)-ETHYL NIPECOTATE HCL, (R)-Ethyl nipecotatehydrochloride, MolPort-002-499-628, RW1087, AG-A-07690, (r)-(-)-nipecotic acid ethyl ester hcl, AC-19577, AK-45083, BR-45083, KB-63276, ST51051400, I12-0247

Molecular Formula: C8H16ClNO2Molecular Weight: 193.671140 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: ZCEGLOKZSLNARG-OGFXRTJISA-N

• (S)-(+)-2-Methylpiperazine
IUPAC Name: (2S)-2-methylpiperazine | CAS Registry Number: 74879-18-8
Synonyms: (S)-2-Methylpiperazine, (2S)-2-methylpiperazine, S-MP, (S)-2-Methyl-Piperazine, AG-G-98021, PIPERAZINE, 2-METHYL-, (2S)-, s-2-methylpiperazine, PubChem9701, PubChem15035, 2-(s)-methylpiperazine, (S)-3-Methylpiperazine, AC1MC0MO, (-)-2-Methylpiperazine, SureCN16558, UNII-C5VI3S1YC0, s-(+)-2-methylpiperazine, AC1Q29PO, 2-Methylpiperazine, (S)-, S-(-)-2-Methylpiperazine, s-(+)-2-methyl piperazine

Molecular Formula: C5H12N2Molecular Weight: 100.162180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: JOMNTHCQHJPVAZ-YFKPBYRVSA-N

• (S)-1-Boc-3-aminopiperidine
IUPAC Name: tert-butyl (3S)-3-aminopiperidine-1-carboxylate | CAS Registry Number: 625471-18-3
Synonyms: (S)-3-Amino-1-N-BOC-piperidine, (S)-3-Amino-1-Boc-piperidine, (S)-(+)-3-Amino-1-Boc-piperidine, (s)-n-boc-3-aminopiperidine, (s)-1-boc-3-amniopiperidine, (S)-1-Boc-3-piperidinamine, (s)-3-amino-n-tboc-piperidine, tert-butyl (3S)-3-aminopiperidine-1-carboxylate, (3s)-3-aminopiperidine, n1-boc protected, (S)-3-Amino-1-tert-butoxycarbonylpiperidine, (s)-tert-butyl 3-aminopiperidine-carboxylate, (3S)-3-Amino-1-(tert-butoxycarbonyl)piperidine, tert-Butyl (S)-3-amino-1-piperidinecarboxylate, (s)-3-amino-piperidine-1-carboxylic acid tert-butyl ester, 1-piperidinecarboxylic acid, 3-amino-, 1,1-dimethylethyl ester, (3s)-, (s)-tert-butyl 3-aminopiperidine-1-carboxylate, (s)3-amino-1-boc-piperidine, (R)-3-Amino-N-Boc-piperidine, tert-Butyl 3-amino-1-piperidinecarboxylate, (r)-tert-butyl 3-aminopiperidine-1-carboxylate

Molecular Formula: C10H20N2O2Molecular Weight: 200.278000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: AKQXKEBCONUWCL-QMMMGPOBSA-N

• (s)-1-Boc-4-Cbz-2-Piperazinecarboxylic Acid
IUPAC Name: (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid | CAS Registry Number: 138775-03-8
Synonyms: (S)-N-1-Boc-N-4-Cbz-2-piperazine carboxylic acid, (s)-1-boc-4-cbz-2-piperazine carboxylic acid, (s)-4-(benzyloxycarbonyl)-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid, n-boc-[(4-n-z)piperazine(2s)cooh], 1-boc-4-cbz-piperazine-2-(s)-carboxylic acid, (S)-N-1-Boc-N-4-Cbz-2-piperazinecarboxylicacid, (s)-piperazine-1,2,4-tricarboxylic acid 4-benzyl ester 1-tert-butyl ester, (S)-4-((Benzyloxy)carbonyl)-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid, (S)-N-1-Boc-N-4-Cbz-2-piperazinecarboxylic acid, PubChem11696, (R)-N-1-Boc-N-4-Cbz-2-piperazinecarboxylicacid, SureCN1375861, CTK4B6249, MolPort-002-501-559, 129365-23-7, ANW-59925, AKOS015994907, AB11012, AG-D-59853, AC-19571

Molecular Formula: C18H24N2O6Molecular Weight: 364.392960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: SREPAMKILVVDSP-AWEZNQCLSA-N


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