Beijing SHLHT Chemical Technology

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Profile: Beijing SHLHT Chemical Technology offers APIs and their intermediates for the pharmaceutical industries. APIs & intermediates include carmustine, chlormethine HCL, granisetron, pidotimod, vecuronium bromide, 4-(2-hydroxyethyl)oxyindole, (6S)-4,5,6,7-tetrahydro-2,6-benzothiazolediamine and P-toluenesulfonylmethyl isocyanide. We also offer aromatic & heterocyclic compounds such as 1-methylnaphthalene, dimethyl phenol, phenanthrene, quinoline, acenaphthene and 9-fluorenemethanol.

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• Raltitrexed

IUPAC Name: (2S)-2-[[5-[methyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]thiophene-2-carbonyl]amino]pentanedioic acid | CAS Registry Number: 112887-68-0
Synonyms: Tomudex, 2kce, 2tsr, Tomudex (TN), ICI D1694, ZD1694, ICI-D1694, MLS001424225, Raltitrexed (JAN/USAN/INN), STOCK6S-47020, C21H22N4O6S, 1i00, AIDS106596, ICI-D-1694, AIDS-106596, ZD 1694, ZD-1694, ZN-D1694, CID104758, NSC639186

Molecular Formula:	C₂₁H₂₂N₄O₆S	Molecular Weight:	458.487580 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	8

InChIKey: IVTVGDXNLFLDRM-HNNXBMFYSA-N

• Ranolazine

IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide | CAS Registry Number: 95635-55-5
Synonyms: Ranexa, RANOLAZINE, Latixa, Ranolazine 2HCl, (-)-Ranolazine, Ran4, ( -)-Ranolazine, Ranolazine dihydrochloride, Ranexa (TN), Ranolazine [USAN], RAN D, Ranolazine (USAN/INN), Lopac0_001062, BSPBio_002276, MLS002154149, SPECTRUM1505366, CVT-303, CID56959, KEG-1295, DB00243

Molecular Formula:	C₂₄H₃₃N₃O₄	Molecular Weight:	427.536520 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: XKLMZUWKNUAPSZ-UHFFFAOYSA-N

• Ropinirole hydrochloride

IUPAC Name: 4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one hydrochloride | CAS Registry Number: 91374-20-8
Synonyms: ReQuip, Adartrel, Repreve, ReQuip CR, ReQuip LP, ReQuip XL, ReQuip XR, Requip (TN), JZP-7, C16H24N2O.HCl, Ropinirole hydrochloride [USAN], NVD-434, SK&F 101468-A, Ropinirole hydrochloride (JAN/USAN), SK&F-101468A, NCGC00094373-01, LS-83828, TL8005858, EU-0101101, D00784

Molecular Formula:	C₁₆H₂₅ClN₂O	Molecular Weight:	296.835500 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: XDXHAEQXIBQUEZ-UHFFFAOYSA-N

• Ropivacaine hydrochloride

IUPAC Name: (2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide hydrochloride | CAS Registry Number: 98717-15-8
Synonyms: Naropin, Ropivacaine, ROPIVACAINE HCl, Ropivacaine monohydrochloride, C17H26N2O.HCl, ropivacaine monohydrochloride,, MLS001401363, CID175804, CPD000469137, SAM001246524, SMR000469137, ropivacaine monohydrochloride, (S)-isomer, LS-113954, I14-176, 2-Piperidinecarboxamide, N-(2,6-dimethylphenyl)-1-propyl-, monohydrochloride, (S)-

Molecular Formula:	C₁₇H₂₇ClN₂O	Molecular Weight:	310.862080 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: NDNSIBYYUOEUSV-RSAXXLAASA-N

• Ropivacaine Hydrochloride

IUPAC Name: (2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide hydrate hydrochloride | CAS Registry Number: 132112-35-7
Synonyms: Anapaine, Anapeine, Naropina, Naropin, Anapeine (TN), Ropivacaine hydrochloride, Ropivacaine hydrochloride (USP), Ropivacaine hydrochloride hydrate, ETI-211, LEA-103, AL-281, CID6918111, Ropivacaine hydrochloride hydrate (JAN), D04048

Molecular Formula:	C₁₇H₂₉ClN₂O₂	Molecular Weight:	328.877360 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: VSHFRHVKMYGBJL-CKUXDGONSA-N

• Sodium Alginate

IUPAC Name: 6-(2-carboxy-4,5-dihydroxy-6-methoxyoxan-3-yl)oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid | CAS Registry Number: 9005-38-3
Synonyms: Sodium alginate, Landalgine, Nouralgine, Pectalgine, Algiline, Calginate, Combinace, Duckalgin, Kaltostat, Kelcosol, Protanal, Protatek, Amnucol, Halltex, Kelacid, Kelsize, Keltone, Lamitex, Manucol, Manutex

Molecular Formula:	C₁₄H₂₂O₁₃	Molecular Weight:	398.316680 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	13

InChIKey: GKFPPCXIBHQRQT-UHFFFAOYSA-N

• Sotalol

IUPAC Name: N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide | CAS Registry Number: 3930-20-9
Synonyms: sotalol, beta-Cardone, .beta.-Cardone, d,l-Sotalol, Sotalol HCL, Sotalol hydrochloride, Sotalolum [INN-Latin], Sotalol [INN:BAN], Sotalol Monohydrochloride, Prestwick0_000966, Prestwick1_000966, Prestwick2_000966, Prestwick3_000966, CCRIS 4204, Lopac0_001055, BSPBio_000971, SPBio_002892, BPBio1_001069, C12H20N2O3S, DB00489

Molecular Formula:	C₁₂H₂₀N₂O₃S	Molecular Weight:	272.363800 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: ZBMZVLHSJCTVON-UHFFFAOYSA-N

• Sotalol Hcl

IUPAC Name: N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide hydrochloride | CAS Registry Number: 959-24-0
Synonyms: Betapace, Sotacor, Sotalex, Berlex, Sorine, Sotalol hydrochloride, Sotalol.HCl, Betapace AF, Mead johnson 1999, .beta.-Cardone, Sotalol HCL, Betapace (TN), Sorine (TN), Ambap2350, ( )-Sotalol hydrochloride, MJ 1999 hydrochloride, ()-Sotalol hydrochloride, Sotalol hydrochloride [USAN], (?)-Sotalol hydrochloride, C12H20N2O3S.HCl

Molecular Formula:	C₁₂H₂₁ClN₂O₃S	Molecular Weight:	308.824740 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	5

InChIKey: VIDRYROWYFWGSY-UHFFFAOYSA-N

• Tegafur

IUPAC Name: 5-fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione | CAS Registry Number: 17902-23-7
Synonyms: Ftorafur, tegafur, Fluorofur, Futraful, Citofur, Sinoflurol, Neberk, Furofutran, Coparogin, Florafur, Franroze, Furafluor, Furflucil, Nitobanil, Fulfeel, Sunfral, Exonal, Fental, Lifril, Lamar

Molecular Formula:	C₈H₉FN₂O₃	Molecular Weight:	200.167063 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: WFWLQNSHRPWKFK-UHFFFAOYSA-N

• Temocapil

IUPAC Name: 2-[(2S)-6-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid | CAS Registry Number: 111902-57-9
Synonyms: Temocapril, temocapril hydrochloride, Temocaprilum [INN-Latin], CID71323, NCGC00181345-01, LS-187255, (2S-(2alpha,6beta(R*)))-6-((1-(Ethoxycarbonyl)-3-phenylpropyl)amino)tetrahydro-5-oxo-2-(2-thienyl)-1,4-thiazepine-4(5H)-acetic acid, 1,4-Thiazepine-4(5H)-acetic acid, 6-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)tetrahydro-5-oxo-2-(2-thienyl)-, (2S-(2alpha,6beta(R*)))-

Molecular Formula:	C₂₃H₂₈N₂O₅S₂	Molecular Weight:	476.608820 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: FIQOFIRCTOWDOW-DXCJPMOASA-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:	C₂₁H₂₆ClN	Molecular Weight:	327.890840 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: BWMISRWJRUSYEX-SZKNIZGXSA-N

• tert-Butyl (2S,6R)-6-amino-5-oxo-2-(2-thienyl)perhydro-1,4-thiazepine-4-acetate

IUPAC Name: tert-butyl 2-[(2S,6R)-6-amino-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetate | CAS Registry Number: 112968-38-4
Synonyms: SureCN10638447, AK-56948, tert-Butyl 2-((2S,6R)-6-amino-5-oxo-2-(thiophen-2-yl)-1,4-thiazepan-4-yl)acetate

Molecular Formula:	C₁₅H₂₂N₂O₃S₂	Molecular Weight:	342.476780 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: ZONWYQJUNYSOTA-JQWIXIFHSA-N

• Tetradecylthio-acetic acid

IUPAC Name: 2-tetradecylsulfanylacetic acid | CAS Registry Number: 2921-20-2
Synonyms: Tetradecylthioacetic acid, CMTD, Spectrum5_001951, Lopac-T-1698, Acetic acid, (tetradecylthio)-, Lopac0_001155, 1-(Carboxymethylthio)tetradecane, T1698_SIGMA, 1-Mono(carboxymethylthio)tetradecane, C16H32O2S, NCGC00016005-01, NCGC00094417-01, NCGC00094417-02, NCGC00094417-03, NCGC00094417-04, LS-174239, EU-0101155, TTA

Molecular Formula:	C₁₆H₃₂O₂S	Molecular Weight:	288.489080 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: IPBCWPPBAWQYOO-UHFFFAOYSA-N

• Tiopronin

IUPAC Name: 2-(2-sulfanylpropanoylamino)acetic acid | CAS Registry Number: 1953-02-2
Synonyms: tiopronin, Thiola, Mucolysin, Acadione, Epatiol, Thiosol, Capen, Thiopronin, Thiopronine, Captimer, Sutilan, Tioglis, Vincol, Meprin (detoxicant), Mercaptopropionylglycine, Thiola (TN), Tiopronine [INN-French], Tioproninum [INN-Latin], N-(2-Mercaptopropionyl)glycine, Tiopronino [INN-Spanish]

Molecular Formula:	C₅H₉NO₃S	Molecular Weight:	163.194860 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: YTGJWQPHMWSCST-UHFFFAOYSA-N

• Tiotropium bromide

Synonyms: Spiriva, Tiotropium, Spiriva Handihaler, Spiriva Respimat, TIOTROPIUM BROMIDE, BA 679BR, Tiotropium bromide [USAN:INN], BA 679 BR, BA-679 BR, BA-679-BR, 3-Oxa-9-azoniatricyclo(3,3.1.0(2,4))nonane, 7-((hydroxydi-2-thienylacetyl)oxy)-9,9-dimethyl-, bromide, (1alpha,2beta,4beta,5alpha,7beta)-, 7-((Hydroxybis(2-thienyl)acetyl)oxy)-9,9-dimethyl-3-oxa-9-azoniatricyclo(3.3.1.0(2,4))nonane bromide

Molecular Formula:	C₁₉H₂₂BrNO₄S₂	Molecular Weight:	472.416280 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: DQHNAVOVODVIMG-RGECMCKFSA-M

• Tipepidine Hibenzate

IUPAC Name: 3-[di(thiophen-2-yl)methylidene]-1-methylpiperidine; 2-(4-hydroxybenzoyl)benzoic acid | CAS Registry Number: 31139-87-4
Synonyms: Asverin, tipepidine hibenzate, Asverin (TN), Tipepidine hibenzate (JP15), D01495

Molecular Formula:	C₂₉H₂₇NO₄S₂	Molecular Weight:	517.658980 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: KEEAAKGKVVTPOM-UHFFFAOYSA-N

• Tosylmethyl isocyanide

IUPAC Name: 1-(isocyanomethylsulfonyl)-4-methylbenzene | CAS Registry Number: 36635-61-7
Synonyms: TosMIC, 188204_ALDRICH, 89816_FLUKA, p-Toluenesulfonylmethyl isocyanide, 4-Toluenesulfonylmethyl isocyanide, NSC631633, (p-Tolylsulfonyl)methyl isocyanide, AIDS134172, AIDS-134172, EINECS 253-140-1, (p-Toluenesulphonyl)methyl isocyanide, ST5406653, Benzene, 1-((isocyanomethyl)sulfonyl)-4-methyl-, (Methylidyne-.lambda.~5~-azanyl)methyl 4-methylphenyl sulfone, Methylidyne(((4-methylphenyl)sulfonyl)methyl)-.lambda.~5~-azane

Molecular Formula:	C₉H₉NO₂S	Molecular Weight:	195.238260 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: CFOAUYCPAUGDFF-UHFFFAOYSA-N

• Trans-1,2-Cyclohexanediaminetetraacetic Acid

IUPAC Name: 2-[[(1S,2S)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid | CAS Registry Number: 13291-61-7
Synonyms: CDTA, EINECS 236-308-9, trans-Cyclohexane-1,2-dinitrilotetraacetic acid, Acetic acid, (1,2-cyclohexylenedinitrilo)tetra-, trans-, Glycine, N,N'-1,2-cyclohexanediylbis(N-(carboxymethyl)-, trans-

Molecular Formula:	C₁₄H₂₂N₂O₈	Molecular Weight:	346.333080 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	10

InChIKey: FCKYPQBAHLOOJQ-UWVGGRQHSA-N

• Tris(4-Nitrophenyl)amine

IUPAC Name: 4-nitro-N,N-bis(4-nitrophenyl)aniline | CAS Registry Number: 20440-93-1
Synonyms: Tris(4-nitrophenyl)amine, 335495_SIAL, CID88538, 4-Nitro-N,N-bis(4-nitrophenyl)benzenamine, LT00160008, Benzenamine, 4-nitro-N,N-bis(4-nitrophenyl)-

Molecular Formula:	C₁₈H₁₂N₄O₆	Molecular Weight:	380.311080 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	7

InChIKey: LSNJBIDKQIRWRQ-UHFFFAOYSA-N

• Trityl Valsartan

IUPAC Name: (2S)-3-methyl-2-[pentanoyl-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid | CAS Registry Number: 195435-23-5
Synonyms: Triphenylvalsartan, Triphenyl valsartan, SCHEMBL2930427, HQCWKLWGCQAUOU-FAIXQHPJSA-N, MolPort-023-220-206, AKOS024462383, AK162988, ST24050304, (S)-3-methyl-2-(N-((2'-(2-trityl-2H-tetrazol-5-yl)biphenyl-4-yl)methyl)pentanamido)butanoic acid

Molecular Formula:	C₄₃H₄₃N₅O₃	Molecular Weight:	677.833220 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: HQCWKLWGCQAUOU-FAIXQHPJSA-N

• Tropisetron

IUPAC Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate | CAS Registry Number: 89565-68-4
Synonyms: tropisetron, Navoban, Novaban, Navoban (TN), Tropisetron (INN), Lopac-T-104, STOCK1N-71105, PDSP1_000776, PDSP2_000764, ICS-205930, NCGC00015984-01, NCGC00161414-01, C13666, D02130, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-indole-3-carboxylate

Molecular Formula:	C₁₇H₂₀N₂O₂	Molecular Weight:	284.352900 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: ZNRGQMMCGHDTEI-FUNVUKJBSA-N

• Tropisetron hydrochloride

IUPAC Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate hydrochloride | CAS Registry Number: 105826-92-4
Synonyms: Navoban, TROPISETRON HCl, Navoban (TN), MLS001401385, Tropisetron hydrochloride (JAN), CPD000469156, SAM001246576, SMR000469156, TL8000219, D02041

Molecular Formula:	C₁₇H₂₁ClN₂O₂	Molecular Weight:	320.813840 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: XIEGSJAEZIGKSA-KOQCZNHOSA-N

• Trospium chloride

IUPAC Name: [(1R,5S)-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-yl] 2-hydroxy-2,2-diphenylacetate chloride | CAS Registry Number: 10405-02-4
Synonyms: trospium chloride, 3-((hydroxydiphenylacetyl)oxy)-spiro(8-azoniabicyclo(3.2.1)octane-8,1'-pyrrolidinium chloride

Molecular Formula:	C₂₅H₃₀ClNO₃	Molecular Weight:	427.963600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: RVCSYOQWLPPAOA-DHWZJIOFSA-M

• 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:	C₂₀H₂₉N₅O₃	Molecular Weight:	387.475960 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: ICMGLRUYEQNHPF-UHFFFAOYSA-N

• Vecuronium bromide

IUPAC Name: [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-acetyloxy-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate bromide | CAS Registry Number: 50700-72-6
Synonyms: Norcuron, Vecuronium, VECURONIUM BROMIDE, Norcuron (TN), Vecuronium Hydrobromide, Org-NC-45, ORG NC 45, ORG-NC45, Vecuronii bromidum [INN-Latin], MLS001424317, ORG-NC 45, NC-45, Bromure de vecuronium [INN-French], Bromuro de vecuronio [INN-Spanish], EINECS 256-723-9, C34H57N2O4, Vecuronium bromide (JAN/USAN/INN), Vecuronium bromide [USAN:BAN:INN:JAN], DB01339, CPD000471625

Molecular Formula:	C₃₄H₅₇BrN₂O₄	Molecular Weight:	637.731380 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: VEPSYABRBFXYIB-PWXDFCLTSA-M

• Vinorelbine

Synonyms: vinorelbine, Navelbine, Eunades, ANX-530, SDP-012, KW-2307, NCGC00165966-02, methyl (2b,3b,4b,5a,12b,19a)-4-(acetyloxy)-15-[(6R,8S)-4-ethyl-8-(methoxycarbonyl)-1,3,6,7,8,9-hexahydro-2,6-methanoazecino[4,3-b]indol-8-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate, NVB

Molecular Formula:	C₄₅H₅₄N₄O₈	Molecular Weight:	778.932260 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	12

InChIKey: GBABOYUKABKIAF-IELIFDKJSA-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:	C₁₆H₁₄F₃N₅O	Molecular Weight:	349.310470 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	9

InChIKey: BCEHBSKCWLPMDN-MGPLVRAMSA-N

• 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:	C₅H₁₀N₂O₇P₂	Molecular Weight:	272.089622 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	9

InChIKey: XRASPMIURGNCCH-UHFFFAOYSA-N

• Zoledronic acid monohydrate

IUPAC Name: (1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid hydrate | CAS Registry Number: 165800-06-6
Synonyms: Zometa, Zoledronic acid, Zoledronate, Aclasta, Reclast, Orazol, Zoledronic acid hydrate, Zometa (TN), Zoledronic acid (USAN), UNII-6XC1PAD3KF, Zoledronic acid hydrate (JAN), C5H10N2O7P2.H2O, MER-101, ZOL-446, CGP-42446A, CGP-42446B, CGP-42446, CID121586, LS-173596, D01968

Molecular Formula:	C₅H₁₂N₂O₈P₂	Molecular Weight:	290.104902 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	9

InChIKey: FUXFIVRTGHOMSO-UHFFFAOYSA-N

• 2-Fluoroadenine

IUPAC Name: 2-fluoro-7H-purin-6-amine | CAS Registry Number: 700-49-2
Synonyms: 2-Fad, 2-Fluoro-6-aminopurine, ADENINE, 2-FLUORO-, Purine, 6-amino-2-fluoro-, 9H-Adenine, 2-fluoro-, 2-Fluoro-1H-purin-6-amine, SRI 774, 1H-Purin-6-amine, 2-fluoro-, Adenine, 2-fluoro- (VAN), 535087_ALDRICH, NSC 27364, 2-Fluoro-7(9)H-purin-6-ylamine, NSC27364, BRN 0610958, ZINC01641355, Adenine, 2-fluoro- (VAN) (8CI), LS-1599, 1H-Purin-6-amine, 2-fluoro- (9CI), ST5298902, TL8004934

Molecular Formula:	C₅H₄FN₅	Molecular Weight:	153.117163 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: WKMPTBDYDNUJLF-UHFFFAOYSA-N

• 1,8-Naphthalic Anhydride

Synonyms: Protect, Pakarli, 1,8-Naphthalic anhydride, Naphthalic anhydride, Naphthalic acid anhydride, Protect (agrochemical), 1,8-Naphthalic acid anhydride, N1607_ALDRICH, Naphthalic anhydride (7CI,8CI), NSC 5747, 70320_FLUKA, EINECS 201-380-2, HSDB 7371, 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, NSC5747, WLN: T666 1A M CVOVJ, Naphthalene-1,8-dicarboxylic anhydride, 1,8-Naphthalenedicarboxylic acid anhydride, 1H,3H-Benzo[de]isochromene-1,3-dione, BRN 0153190

Molecular Formula:	C₁₂H₆O₃	Molecular Weight:	198.174240 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: GRSMWKLPSNHDHA-UHFFFAOYSA-N

• 9-Fluorenemethanol

IUPAC Name: 9H-fluoren-9-ylmethanol | CAS Registry Number: 24324-17-2
Synonyms: 9-Fluorenylmethanol, Fluorene-9-methanol, 9H-Fluorene-9-methanol, (Fluoren-9-yl)methanol, 9H-Fluoren-9-ylmethanol, 9-(Hydroxymethyl)fluorene, ChemDiv3_002715, 160504_ALDRICH, ZINC01004778, CID90466, EINECS 246-167-5, SBB008508, FR-2190, EU-0076483, F-2870, AN-512/13501009

Molecular Formula:	C₁₄H₁₂O	Molecular Weight:	196.244480 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: XXSCONYSQQLHTH-UHFFFAOYSA-N

• 2-Methylquinoline

IUPAC Name: 2-methylquinoline | CAS Registry Number: 91-63-4
Synonyms: Quinaldine, Khinaldin, Chinaldine, Methylquinoline, Quinoline, 2-methyl-, 2-METHYLQUINOLINE, Quinoline, methyl-, DIMETHYLQUINOLINES, 2-Methylchinolin [Czech], CCRIS 1155, Q2125_SIGMA, WLN: T66 BNJ C1, 22550_FLUKA, NSC 3397, EINECS 202-085-1, NSC3397, AIDS020531, AIDS-020531, 2-METHYLQUINOLINE, 90%, BRN 0110309

Molecular Formula:	C₁₀H₉N	Molecular Weight:	143.185160 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: SMUQFGGVLNAIOZ-UHFFFAOYSA-N

• (2s, 6r)-6-amino-2-(2-thienyl)-1,4-thiazepan

IUPAC Name: (2S,6R)-6-amino-2-thiophen-2-yl-1,4-thiazepan-5-one | CAS Registry Number: 110221-26-6
Synonyms: (2S,6R)-6-amino-2-(2-thienyl)-1,4-thiazepan-5-one, (2S,6R)-6-amino-2-(thiophen-2-yl)-1,4-thiazepan-5-one, 6-Amino-2-thiophen-2-yl-[1,4]thiazepan-5-one, (2S,6R)-6-Amino-5-oxo-2-(2-thienyl)perhydro-1,4-thiazepine, PubChem10603, CTK0H4443, MolPort-003-844-573, BH006, ACT08759, ANW-44825, FC0006, RW2421, SBB070594, SC3641, AKOS015918385, AC-4304, AG-D-27509, MB06253, AK-25290, KB-62739

Molecular Formula:	C₉H₁₂N₂OS₂	Molecular Weight:	228.334380 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: JIKPFDXBWSSTCF-XPUUQOCRSA-N

• (R,R)-1,2-Diaminocyclohexane

IUPAC Name: (1R,2R)-cyclohexane-1,2-diamine | CAS Registry Number: 20439-47-8
Synonyms: (1R,2R)-(-)-1,2-Diaminocyclohexane, (1R,2R)-cyclohexane-1,2-diamine, trans-1,2-Diaminocyclohexane, 1121-22-8, r-dach, (1r,2r)-1,2-diaminocyclohexane, (1R)-trans-1,2-Cyclohexanediamine, (1r,2r)-diaminocyclohexane, rr-diaminocyclohexane, (1R,2R)-(-)-1,2-Cyclohexanediamine, trans-1,2-Cyclohexanediamine, (1R)-(-)-trans-1,2-Diaminocyclohexane, trans-cyclohexane-1,2-diamine, 1R,2R-DIAMINOCYCLOHEXANE, (1R,2R)-1,2-Cyclohexanediamine, ((1R,2R)-2-Aminocyclohexyl)amine, SBB007639, (+/-)-trans-1,2-Diaminocyclohexane, (R,R)-(-)-1,2-Diaminocyclohexane, DNH

Molecular Formula:	C₆H₁₄N₂	Molecular Weight:	114.188760 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: SSJXIUAHEKJCMH-PHDIDXHHSA-N

• 8-Hydroxyquinoline

IUPAC Name: quinolin-8-ol | CAS Registry Number: 148-24-3
Synonyms: Oxyquinoline, 8-quinolinol, Oxine, 8-HYDROXYQUINOLINE, Phenopyridine, Oxychinolin, Quinophenol, Bioquin, Tumex, Oxybenzopyridine, Oxin, quinolin-8-ol, 8-Oxyquinoline, 8-Quinol, 8-Hydroxychinolin, Fennosan, Albisal, Hydroxybenzopyridine, Fennosan H 30, Hydroxychinolin

Molecular Formula:	C₉H₇NO	Molecular Weight:	145.157980 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: MCJGNVYPOGVAJF-UHFFFAOYSA-N

• 2-Bromo Phenol

IUPAC Name: 2-bromophenol | CAS Registry Number: 95-56-7
Synonyms: o-Bromophenol, 2-BROMOPHENOL, Phenol, 2-bromo-, Phenol, o-bromo-, BROMOPHENOL, Phenol, bromo-, o-bromo-phenol, 2-Bromfenol, 2-Bromfenol [Czech], WLN: QR BE, 130915_ALDRICH, 36942_RIEDEL, NSC 6970, 17990_FLUKA, EINECS 202-432-7, EINECS 251-200-1, NSC6970, BRN 1905115, ZINC00388200, DB04586

Molecular Formula:	C₆H₅BrO	Molecular Weight:	173.007300 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: VADKRMSMGWJZCF-UHFFFAOYSA-N

• 2,4-Thiazolidine Dione

IUPAC Name: 1,3-thiazolidine-2,4-dione | CAS Registry Number: 2295-31-0
Synonyms: Thiazolidinedione, 2,4-Dioxothiazolidine, 2,4-THIAZOLIDINEDIONE, 2,4(3H,5H)-Thiazoledione, Thiazolidinedione-2,4, WLN: T5SVMV EHJ, USAF EK-5496, 1,3-Thiazolidine-2,4-dione, thiazolidinedione deriv. 21, NSC6745, 375004_ALDRICH, 2,4-thiazolidinedione potassium, NSC 6745, CHEBI:50992, EINECS 218-941-2, Potassium 2,4-dioxothiazolidinate, AIDS019667, AIDS-019667, BRN 0110700, SBB000047

Molecular Formula:	C₃H₃NO₂S	Molecular Weight:	117.126420 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: ZOBPZXTWZATXDG-UHFFFAOYSA-N

• 2-Amino-5-hydroxybenzoic acid

IUPAC Name: 2-amino-5-hydroxybenzoic acid | CAS Registry Number: 394-31-0
Synonyms: Diabeton, 5-Hydroxyanthranilic acid, 278998_ALDRICH, Benzoic acid, 2-amino-5-hydroxy-, 08100_FLUKA, CID164592, SBB007820, FR-0401, TL806288, InChI=1/C7H7NO3/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3,9H,8H2,(H,10,11

Molecular Formula:	C₇H₇NO₃	Molecular Weight:	153.135380 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: HYNQTSZBTIOFKH-UHFFFAOYSA-N

• 8-Hydroxyquinoline Copper Salt

IUPAC Name: copper 8-hydroxyquinoline-2-carboxylate | CAS Registry Number: 10380-28-6
Synonyms: Copper 8-hydroxyquinolate

Molecular Formula:	C₂₀H₁₂CuN₂O₆	Molecular Weight:	439.865080 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	8

InChIKey: RQBCOKZWUQNLPR-UHFFFAOYSA-L

• (S)-Alpha,Alpha-Diphenyl-3-Pyrrolidine Acetamide

IUPAC Name: 2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide | CAS Registry Number: 133099-11-3
Synonyms: 134002-25-8, (S)-2,2-Diphenyl-2-(pyrrolidin-3-yl)acetamide, (s)-alpha,alpha-diphenyl-3-pyrrolidineacetamide, (S)-A,A-Diphenyl-3-pyrrolidineacetamide, (S)-Alpha,Alphal-Diphenyl-3-Pyrrolidineacetamide, 3-(S)-(1-Carbamoyl-1,1-diphenylmethyl)pyrrolidine, PubChem9975, SureCN958241, CTK8C0058, MolPort-005-941-562, AC-380, ANW-63984, AKOS015889742, (S)-?,?-Diphenyl-3-pyrrolidineacetamide, AK-24344, AK-58190, BR-24344, (S)-A,A'-Diphenyl-3-pyrrolidineacetamide, AB1004896, KB-178632

Molecular Formula:	C₁₈H₂₀N₂O	Molecular Weight:	280.364200 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: IVJSBKKYHVODFT-MRXNPFEDSA-N

• 3-Hydroxybenzaldehyde

IUPAC Name: 3-hydroxybenzaldehyde | CAS Registry Number: 100-83-4
Synonyms: m-Formylphenol, 3-hydroxybenzaldehyde, 3-Formylphenol, m-Hydroxybenzaldehyde, Benzaldehyde, 3-hydroxy-, meta-Hydroxybenzaldehyde, Benzaldehyde, m-hydroxy-, 3-OH-BENZALDEHYDE, H19808_ALDRICH, 3-HYDROXY-BENZALDEHYDE, NSC 3504, CHEBI:16207, EINECS 202-892-9, NSC3504, BRN 0507099, c0055, ZINC00901630, AI3-12120, LS-25059, ST5213351

Molecular Formula:	C₇H₆O₂	Molecular Weight:	122.121340 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: IAVREABSGIHHMO-UHFFFAOYSA-N

• 3-(methoxycarbonyl)-7-Hydroxy-9-Azabicyclo[3.3.1]nonane-9-Acetic Acid Methyl Ester

IUPAC Name: methyl (1S,5R)-3-hydroxy-9-(2-methoxy-2-oxoethyl)-9-azabicyclo[3.3.1]nonane-7-carboxylate | CAS Registry Number: 125483-28-5
Synonyms: Methyl 3-(methoxycarbonyl)-7-oxo-9-azabicyclo[3.3.1]nonane-9-acetate, ZINC87492919, ZINC263584228, ZINC263584229, ZINC263584230, ZINC263584231

Molecular Formula:	C₁₃H₂₁NO₅	Molecular Weight:	271.313 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: NFNRIFFHIZTOMV-GGWWSXTCSA-N

• 3,5-Xylenol

IUPAC Name: 3,5-dimethylphenol | CAS Registry Number: 108-68-9
Synonyms: Sym-m-xylenol, Phenol, 3,5-dimethyl-, 3,5-DIMETHYLPHENOL, 1,3,5-Xylenol, 3,5-Dimethyl phenol, sym.-m-Xylenol, Xylenol 200, 5-Hydroxy-m-xylene, 3,5-Dmp, 1-Hydroxy-3,5-dimethylbenzene, CCRIS 724, 3,5-Dimethylphenol solution, HSDB 5385, WLN: QR C1 E1, 144134_ALDRICH, 36717_RIEDEL, 442379_SUPELCO, 1,5-Dimethyl-3-hyperoxybenzene, NSC 9268, Benzene, 1,3-dimethyl-5-hydroxy-

Molecular Formula:	C₈H₁₀O	Molecular Weight:	122.164400 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: TUAMRELNJMMDMT-UHFFFAOYSA-N

• (R)-(+)-3-Aminoquinuclidine dihydrochloride

IUPAC Name: (3R)-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride | CAS Registry Number: 123536-14-1
Synonyms: (R)-3-Aminoquinuclidine dihydrochloride, (3R)-1-azabicyclo[2.2.2]octan-3-amine dihydrochloride, (3R)-Quinuclidin-3-amine dihydrochloride, (R)-(-)-3-Aminoquinuclidine dihydrochloride, (S)-(-)-3-Aminoquinuclidine dihydrochloride, PubChem9967, SureCN260467, SureCN7441414, 415715_ALDRICH, CTK3J6051, MolPort-001-769-432, ANW-44130, (R)-3-AMINOQUINUCLIDINE 2HCL, AKOS015845596, AKOS015894519, AC-4631, AC38289, AG-B-75127, PB27474, RP25674

Molecular Formula:	C₇H₁₆Cl₂N₂	Molecular Weight:	199.121340 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	2

InChIKey: STZHBULOYDCZET-KLXURFKVSA-N

• 1,3-cyclopentanedione

IUPAC Name: cyclopentane-1,3-dione | CAS Registry Number: 3859-41-4
Synonyms: 1,3-Cyclopentanedione, 1,3-Cyclopentadione, Cyclopentane-1,3-dione, 1.3-CYCLOPENTANEDIONE, Maleimide-Related Compound 12, 177164_ALDRICH, CHEBI:41456, CID77466, EINECS 223-372-8, NSC364015, FR-2372, SL-00438, TL8002813, CEJ

Molecular Formula:	C₅H₆O₂	Molecular Weight:	98.099940 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: LOGSONSNCYTHPS-UHFFFAOYSA-N

• 2 3-Xylenol

IUPAC Name: 2,3-dimethylphenol | CAS Registry Number: 526-75-0
Synonyms: o-Xylenol, 2,3-Xylenol, Vic-o-Xylenol, Phenol, 2,3-dimethyl-, o-3-Xylenol, 2,3-DIMETHYLPHENOL, Xyellenol 100, 2,3-Dimethyl phenol, vic.-o-Xylenol, 2,3-Dicresol, 3-Hydroxyl-o-xylene, 1-Hydroxy-2,3-dimethylbenzene, HSDB 5676, D174009_ALDRICH, WLN: QR B1 C1, 442292_SUPELCO, Benzene, 1,2-dimethyl-3-hydroxy-, EINECS 208-395-3, NSC 62011, NSC62011

Molecular Formula:	C₈H₁₀O	Molecular Weight:	122.164400 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: QWBBPBRQALCEIZ-UHFFFAOYSA-N

• 2-Aminobenzaldehyde

IUPAC Name: 2-aminobenzaldehyde | CAS Registry Number: 529-23-7
Synonyms: o-Aminobenzaldehyde, Benzaldehyde, 2-amino-, A9628_SIGMA, ghl.PD_Mitscher_leg0.1278, EINECS 208-454-3, SL-00701, AI3-52264

Molecular Formula:	C₇H₇NO	Molecular Weight:	121.136580 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: FXWFZIRWWNPPOV-UHFFFAOYSA-N

• 2-Bromoiodobenzene

IUPAC Name: 1-bromo-2-iodobenzene | CAS Registry Number: 583-55-1
Synonyms: o-Bromoiodobenzene, Benzene, 1-bromo-2-iodo-, 1-BROMO-2-IODOBENZENE, 242616_ALDRICH, CID11415, EINECS 209-508-9, InChI=1/C6H4BrI/c7-5-3-1-2-4-6(5)8/h1-4

Molecular Formula:	C₆H₄BrI	Molecular Weight:	282.904430 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: OIRHKGBNGGSCGS-UHFFFAOYSA-N

• 3,3-Diphenylpropylamine

IUPAC Name: 3,3-di(phenyl)propan-1-amine | CAS Registry Number: 5586-73-2
Synonyms: 3-3-Diphenylpropylamine, TimTec1_004202, 136298_ALDRICH, Benzenepropanamine, .gamma.-phenyl-, EINECS 226-984-3, NSC137832, SBB000517, NSC 137832, TL8003640, 1019-05-2

Molecular Formula:	C₁₅H₁₇N	Molecular Weight:	211.302180 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: KISZTEOELCMZPY-UHFFFAOYSA-N