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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• Triadimefon

IUPAC Name: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one | CAS Registry Number: 43121-43-3
Synonyms: Bayleton, TRIADIMEFON, Azocene, Triadimefone, Haleton, Acizol, Adifon, Amiral, Mighty, Miltek, Strike, Typhon, Nurex, Reach, Rofon, Tenor, Bayleton triple, Bayleton Total, Diametom B, Tripinacloraz

Molecular Formula:	C₁₄H₁₆ClN₃O₂	Molecular Weight:	293.748740 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: WURBVZBTWMNKQT-UHFFFAOYSA-N

• Triadimenol

IUPAC Name: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol | CAS Registry Number: 55219-65-3
Synonyms: Baytan, TRIADIMENOL, Bayfidan, Spinnaker, Triaphol, Triafol, Summit, Tridan Fungicide, Bayfrdan EW, Baytoan, Baytan 15, Caswell No. 074A, Baytan TF 3479B, Triadimenol [BSI:ISO], PS1064_SUPELCO, BAY KWG 0519, Oprea1_784171, MLS000038204, 46138_RIEDEL, KWG 0519

Molecular Formula:	C₁₄H₁₈ClN₃O₂	Molecular Weight:	295.764620 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: BAZVSMNPJJMILC-UHFFFAOYSA-N

• Triallate

IUPAC Name: S-(2,3,3-trichloroprop-2-enyl) N,N-di(propan-2-yl)carbamothioate | CAS Registry Number: 2303-17-5
Synonyms: triallate, Tri-allate, Triallat, Dipthal, Triamyl, Avadex BW, Far-Go, Triallat [German], Caswell No. 870A, Tri-allate [BSI:ISO], Spectrum_001889, RCRA waste no. U389, SpecPlus_000510, Spectrum2_001844, Spectrum3_000845, Spectrum4_000685, Spectrum5_002006, PS506_SUPELCO, CCRIS 5383, BSPBio_002429

Molecular Formula:	C₁₀H₁₆Cl₃NOS	Molecular Weight:	304.664140 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: MWBPRDONLNQCFV-UHFFFAOYSA-N

• Triasulfuron

IUPAC Name: 1-[2-(2-chloroethoxy)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea | CAS Registry Number: 82097-50-5
Synonyms: Logran, Triasulphuron, Triasulfuron [ISO], PS2042_SUPELCO, 33383_RIEDEL, AIDS082315, CGA 131036, EPA Pesticide Chemical Code 128969, AIDS-082315, CID73282, NCGC00168340-01, LS-31405, C10961, 1-(2-(2-Chloroethoxy)phenylsulfonyl)-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea (IUPAC), 2-(2-Chloroethoxy)-N-(((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)benzenesulfonamide, Benzenesulfonamide, 2-(2-chloroethoxy)-N-(((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)-, 135100-29-7, 2-(2-chloroethoxy)-N-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl}benzenesulfonamide, Benzenesulfonamide, 2-(2-chloroethoxy)-N-(((4-methoxy-6-methyl-1,3,5-triazin-2-yl)ami-no)carbonyl)-

Molecular Formula:	C₁₄H₁₆ClN₅O₅S	Molecular Weight:	401.825340 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	8

InChIKey: XOPFESVZMSQIKC-UHFFFAOYSA-N

• Triazophos

IUPAC Name: diethoxy-[(1-phenyl-1,2,4-triazol-3-yl)oxy]-sulfanylidene-$l^{5}-phosphane | CAS Registry Number: 24017-47-8
Synonyms: Hostathion, Methoxone, TRIAZOFOS, Triazofosz (Hungarian), Triazophos [BSI:ISO], HOE 2960 OJ, HSDB 6455, 45696_RIEDEL, HOE 2960, CHEBI:38963, EINECS 245-986-5, BRN 0682554, AI3-27764, NCGC00163944-01, NCGC00163944-02, LS-108708, 1-Phenyl-1,2,4-triazolyl-3-(O,O-diethylthionophosphate), Phosphorothioic acid, O,O-diethyl O-(1-phenyl-1H-1,2,4-triazol-3-yl) ester, 1-Phenyl-3-(O,O-diethyl-thionophosphoryl)-1,2,4-triazole, O,O-Diethyl O-(1-phenyl-1H-1,2,4-triazol-3-yl)phosphorothioate

Molecular Formula:	C₁₂H₁₆N₃O₃PS	Molecular Weight:	313.312501 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: AMFGTOFWMRQMEM-UHFFFAOYSA-N

• Tribenuron-methyl

IUPAC Name: methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate | CAS Registry Number: 101200-48-0
Synonyms: Express, Tribenuron methyl, Matrix, Cameo, TRIBENURON-METHYL, Cameo (pesticide), Camer (pesticide), Sulfmethmeton-methyl, Express (pesticide), Express 75 DF, Tribenuron methyl ester, Tribenuron-methyl [ISO], HCHA 92 HE, HSDB 6851, 46013_RIEDEL, DPX-L 5300, EPA Pesticide Chemical Code 128887, ZINC00900618, NCGC00163779-01, NCGC00163779-02

Molecular Formula:	C₁₅H₁₇N₅O₆S	Molecular Weight:	395.390380 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	9

InChIKey: VLCQZHSMCYCDJL-UHFFFAOYSA-N

• Tributyl Phosphate

IUPAC Name: tributyl phosphate | CAS Registry Number: 126-73-8
Synonyms: TRIBUTYL PHOSPHATE, Butyl phosphate, Celluphos 4, Tributylphosphate, Disflamoll TB, Tri-n-butyl phosphate, Tributylphosphat, Tributilfosfato, Tributylfosfaat, Butyl phosphate, tri-, Tri-N-butylphosphate, Tributoxyphosphine oxide, Phosphoric acid tributyl ester, Tributylfosfat [Czech], Tributylfosfaat [Dutch], Tributilfosfato [Italian], Tributylphosphat [German], Tributyle(phosphate de), N-BUTYL PHOSPHATE, Tributyle (phosphate de)

Molecular Formula:	C₁₂H₂₇O₄P	Molecular Weight:	266.314141 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: STCOOQWBFONSKY-UHFFFAOYSA-N

• Trichloroisocyanuric Acid (TCCA)

IUPAC Name: 1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione | CAS Registry Number: 87-90-1
Synonyms: Symclosene, Symclosen, Trichlorocyanuric acid, Chloreal, Isocyanuric chloride, Fichlor 91, Trichloroisocyanic acid, Fi Clor 91, Neochlor 90, Trichloroisocyanurate, TRICHLOROISOCYANURIC ACID, Trichloro-s-triazinetrione, Trichlorisocyanursaeure, Caswell No. 876B, Symclosene [USAN:INN], Symclosenum [INN-Latin], Trichlorinated isocyanuric acid, ACL 85, Sincloseno [INN-Spanish], 1,3,5-Trichloroisocyanuric acid

Molecular Formula:	C₃Cl₃N₃O₃	Molecular Weight:	232.409400 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: YRIZYWQGELRKNT-UHFFFAOYSA-N

• Triclosan

IUPAC Name: 5-chloro-2-(2,4-dichlorophenoxy)phenol | CAS Registry Number: 3380-34-5
Synonyms: triclosan, Irgasan, Cloxifenolum, Cliniclean, Tersaseptic, Aquasept, Manusept, Sapoderm, Trisan, pHisoHex, Microshield T, Oxy Skin Wash, Stri-Dex Face Wash, Irgasan DP300, Stri-Dex Cleansing Bar, Triclosan; Irgasan, Irgasan DP 300, Caswell No. 186A, Lexol 300, COLGATE TOTAL

Molecular Formula:	C₁₂H₇Cl₃O₂	Molecular Weight:	289.541780 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: XEFQLINVKFYRCS-UHFFFAOYSA-N

• Tridemorph

IUPAC Name: 2,6-dimethyl-4-tridecylmorpholine | CAS Registry Number: 24602-86-6
Synonyms: Calixine, Calixin, Tridemorphe, Kalinin, Kalixin, Tridemorf [Czech], F 220 (fungicide), Tridemorph [ISO], Caswell No. 386, Tridemorph [BSI:ISO], Tridemorphe [ISO-French], BASF 220F, BAS 2203F, N-Tridecyl-2,6-dimethylmorpholine, Morpholine, 2,6-dimethyl-4-tridecyl-, BAS 2205-F, 4-Tridecyl-2,6-dimethylmorpholine, EINECS 246-347-3, 2,6-DIMETHYL-4-TRIDECYLMORPHOLINE, EPA Pesticide Chemical Code 121401

Molecular Formula:	C₁₉H₃₉NO	Molecular Weight:	297.519060 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: YTOPFCCWCSOHFV-UHFFFAOYSA-N

• Triflumuron

IUPAC Name: 2-chloro-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzamide | CAS Registry Number: 64628-44-0
Synonyms: Alsystin, Alsystine, Mascot, Triflumuron [ISO], Caswell No. 217C, Bay-sir 8514, BAY-Vi 7533, SPECTRUM1505170, 35029_RIEDEL, BAY SIR 8514, OMS 2015, SIR 8514, CHEBI:39388, EINECS 264-980-3, EPA Pesticide Chemical Code 118201, BRN 2776684, AI3-29368, NCGC00094568-01, NCGC00094568-02, LS-26231

Molecular Formula:	C₁₅H₁₀ClF₃N₂O₃	Molecular Weight:	358.699710 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: XAIPTRIXGHTTNT-UHFFFAOYSA-N

• Trifluralin

IUPAC Name: 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline | CAS Registry Number: 1582-09-8
Synonyms: trifluralin, Crisalina, Triflurex, Agreflan, Crisalin, Treflan, Nitran, Trifluraline, Trefanocide, Digermin, Elancolan, Synfloran, Treficon, Trifurex, Trikepin, Ipersan, Olitref, Tristar, Nitran K, Trim

Molecular Formula:	C₁₃H₁₆F₃N₃O₄	Molecular Weight:	335.279050 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	8

InChIKey: ZSDSQXJSNMTJDA-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:	C₂₂H₂₉NO₅	Molecular Weight:	387.469360 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: LORDFXWUHHSAQU-UHFFFAOYSA-N

• Triphenylstannic Hydroxide

IUPAC Name: tri(phenyl)tin hydrate | CAS Registry Number: 76-87-9
Synonyms: Triphenylstannanol, Erithane, Fenolovo, Tenhide, Tubotin, Tptoh, Duter extra, Vancide ks, Hydroxytriphenyltin, Triphenyltin hydroxide, Haitin, Triphenyltin oxide, Tpth Technical, Phenostat-H, Du-Ter, Sunitron H, Suzu H, Fentin, Dowco 186, Duter

Molecular Formula:	C₁₈H₁₇OSn	Molecular Weight:	368.036980 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: NRHFWOJROOQKBK-UHFFFAOYSA-N

• Tris(2-Chloroethyl) Phosphate

IUPAC Name: tris(2-chloroethyl) phosphate | CAS Registry Number: 115-96-8
Synonyms: Celluflex, Disflamoll TCA, Celluflex CEF, Fyrol CEF, Niax 3CF, Genomoll P, Antiblaze 100, Trichlorethyl phosphate, Tris(2-chloroethyl) phosphate, Fyrol CF, 2-Chloroethanol phosphate, Tris(chloroethyl)phosphate, TCEP, Niax Flame Retardant 3CF, Tris(2-chloroethyl)phosphate, Trichloroethyl phosphate, TRI(2-CHLOROETHYL) PHOSPHATE, Tris(chloroethyl) phosphate, Tri(2-chloroethyl)phosphate, Tris(2-chloroethyl) orthophosphate

Molecular Formula:	C₆H₁₂Cl₃O₄P	Molecular Weight:	285.489841 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: HQUQLFOMPYWACS-UHFFFAOYSA-N

• Tris-(Chloropropyl) Phosphate

IUPAC Name: tris(1-chloropropan-2-yl) phosphate | CAS Registry Number: 13674-84-5
Synonyms: Amgard TMCP, Hostaflam OP 820, CCRIS 6111, Tri-(2-chloroisopropyl)phosphate, Tris(1-chloro-2-propyl)phosphate, EINECS 237-158-7, Tris(2-chloro-1-methylethyl) phosphate, TRIS(2-CHLOROISOPROPYL)PHOSPHATE, 2-Propanol, 1-chloro-, phosphate (3:1), CID26176, BRN 1842347, LS-797, TRIS(2-CHLOROISOPROPYL) PHOSPHATE, Phosphoric acid, tris(2-chloro-1-methylethyl) ester, Bis(2-chloro-1-methylethyl) 2-chloropropyl phosphate, Phosphoric acid, bis(2-chloro-1-methylethyl) 2-chloropropyl ester, 16839-32-0, 215035-31-7, 76025-08-6

Molecular Formula:	C₉H₁₈Cl₃O₄P	Molecular Weight:	327.569581 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: KVMPUXDNESXNOH-UHFFFAOYSA-N

• Trisbromoneopentyl Alcohol

IUPAC Name: 3-bromo-2,2-bis(bromomethyl)propan-1-ol | CAS Registry Number: 36483-57-5
Synonyms: Pentaerythritol tribromide, Tribromoneopentanol, Tribomoneopentyl alcohol, Tribromoneopentyl glycol, Tribromoneopentanol, s-, Tribromoneopentyl alcohol, Tribromoneopenanol, s-, Pentaerythritol tribromohydrin, 2,2,2-Tris(bromomethyl)ethanol, CCRIS 6214, MLS002454373, 3-BROMO-2,2-BIS(BROMOMETHYL)PROPANOL, EINECS 253-057-0, NSC 20521, 2,2-Bis(bromomethyl)-3-bromo-1-propanol, 3-Bromo-2,2-bis(bromomethyl)-1-propanol, CID15206, FR 1360, NSC20521, BRN 1738921

Molecular Formula:	C₅H₉Br₃O	Molecular Weight:	324.836360 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: QEJPOEGPNIVDMK-UHFFFAOYSA-N

• Tropisetron Citrate

IUPAC Name: 2-[4-[(Z)-4-chloro-1,2-di(phenyl)but-1-enyl]phenoxy]-N,N-dimethylethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid | CAS Registry Number: 89778-27-8
Synonyms: Fareston, TOREMIFENE CITRATE, toremifene, Fareston (TN), Ambap4022, Toremifene citrate [USAN], CCRIS 6719, FC 1157a, MLS001306432, MLS001424189, C26H28ClNO.C6H8O7, Toremifene citrate (JAN/USAN), NK 622, NSC613680, AIDS156396, NSC 613680, AIDS-156396, CPD000469213, LS-64922, SAM001246774

Molecular Formula:	C₃₂H₃₆ClNO₈	Molecular Weight:	598.083140 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	9

InChIKey: IWEQQRMGNVVKQW-OQKDUQJOSA-N

• Uniconazole

IUPAC Name: (E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol | CAS Registry Number: 83657-22-1
Synonyms: Uniconazole-P, Sumagit, Uniconazole [ISO], XE-1019D Technical, Ortho Prunit Tree Growth Regulator, XE 1019D, CHEBI:38000, EPA Pesticide Chemical Code 128976, S 3307D, BRN 0662790, LS-155978, 5-26-01-00166 (Beilstein Handbook Reference), 1H-1,2,4-Triazole-1-ethanol, beta-((4-chlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-, (E)-(+-)-, (1E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol, (E)-(+-)-beta-((4-chlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol, 1H-1,2,4-Triazole-1-ethanol, beta-((4-chlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-, (betaE)-, 76714-83-5

Molecular Formula:	C₁₅H₁₈ClN₃O	Molecular Weight:	291.775920 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: YNWVFADWVLCOPU-MDWZMJQESA-N

• Uridine

IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione | CAS Registry Number: 58-96-8
Synonyms: uridine, Uridin, Uracil riboside, araU, 1-beta-D-Ribofuranosyluracil, 1af2, MLS000069625, Uridine, labeled with tritium, U3003_SIGMA, U3750_SIGMA, U6381_SIGMA, Uracil, 1-beta-D-ribofuranosyl-, Uracil-1-beta-d-ribofuranoside, 1-.beta.-D-Ribofuranosyluracil, C9H12N2O6, CHEBI:16704, EINECS 200-407-5, NSC 20256, AIDS185903, AIDS-185903

Molecular Formula:	C₉H₁₂N₂O₆	Molecular Weight:	244.201380 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	6

InChIKey: DRTQHJPVMGBUCF-XVFCMESISA-N

• UV-3765

IUPAC Name: 10-O-methyl 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate | CAS Registry Number: 82919-37-7
Synonyms: EINECS 280-060-4, CID157881, Methyl 1,2,2,6,6-pentamethyl-4-piperidyl sebacate, Decanedioic acid, methyl 1,2,2,6,6-pentamethyl-4-piperidinyl ester

Molecular Formula:	C₂₁H₃₉NO₄	Molecular Weight:	369.538660 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: OTCWVYFQGYOYJO-UHFFFAOYSA-N

• Valaciclovir HCL

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), Valacyclovir hydrochloride, 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

Molecular Formula:	C₁₃H₂₁ClN₆O₄	Molecular Weight:	360.796640 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	9

InChIKey: ZCDDBUOENGJMLV-QRPNPIFTSA-N

• Validamycin

IUPAC Name: (2R,3R,4S,5S,6R)-2-[(1R,2R,3S,4S,6R)-2,3-dihydroxy-6-(hydroxymethyl)-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol | CAS Registry Number: 37248-47-8
Synonyms: Validacin, Valimon, VALIDAMYCIN A, CID443629, C12112

Molecular Formula:	C₂₀H₃₅NO₁₃	Molecular Weight:	497.490800 [g/mol]
H-Bond Donor:	12	H-Bond Acceptor:	14

InChIKey: JARYYMUOCXVXNK-CSLFJTBJSA-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:	C₂₄H₂₉N₅O₃	Molecular Weight:	435.518760 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: ACWBQPMHZXGDFX-QFIPXVFZSA-N

• Vardenafil

IUPAC Name: 2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-methyl-7-propyl-1H-imidazo[5,1-f][1,2,4]triazin-4-one | CAS Registry Number: 224785-90-4
Synonyms: Levitra, VARDENAFIL, LEVITRA, BSPBio_002392, HSDB 7304, STOCK6S-20068, CID110634, DB00862, BAY 38-9456, NCGC00167533-01, LS-111467, VDN, 2-(2-Ethoxy-5-(4-ethylpiperazin-1-yl-1-sulfonyl)phenyl)-5-methyl-7-propyl-3H-imidazo(5,1-f)(1,2,4)triazin-4-one, Piperazine, 1-((3-(1,4-dihydro-5-methyl-4-oxo-7-propylimidazo(5,1-f)(1,2,4)triazin-2-yl)-4-ethoxyphenyl)sulfonyl)-4-ethyl-, 1-((3-(3,4-Dihydro-5-methyl-4-oxo-7-propylimidazo(5,1-f)-as-triazin-2-yl)-4-ethoxyphenyl)sulfonyl)-4-ethylpiperazine, 2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-methyl-7-propyl-1H-imidazo[5,1-f][1,2,4]triazin-4-one, 2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-5-METHYL-7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN-4(1H)-ONE

Molecular Formula:	C₂₃H₃₂N₆O₄S	Molecular Weight:	488.602980 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	9

InChIKey: SECKRCOLJRRGGV-UHFFFAOYSA-N

• Verapamil

IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile | CAS Registry Number: 52-53-9
Synonyms: VERAPAMIL, Iproveratril, Cordilox, Dilacoran, Isoptimo, Vasolan, Cardibeltin, Dexverapamil, Falicard, Finoptin, Isoptine, Isotopin, Izoptin, Manidon, Calcan, Calan, Verapamil HCl, nchembio.79-comp5, (+-)-Verapamil, Verapamilum [INN-Latin]

Molecular Formula:	C₂₇H₃₈N₂O₄	Molecular Weight:	454.601620 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: SGTNSNPWRIOYBX-UHFFFAOYSA-N

• Vincristine

Synonyms: vincristine, Leurocristine, Vincrystine, Vinkristin, Indole alkaloid, 22-Oxovincaleukoblastine, Vincrstine, Oncovine, Vincrisul, Vincristina [DCIT], Onco TCS, Vincristine sulfate, Liposomal Vincristine, Vincristinum [INN-Latin], Vincristine [INN:BAN], Z-D-Val-Lys(Z)-OH, Vincaleukoblastine, 22-oxo-, CCRIS 5763, HSDB 3199, Oncovin (1:1 sulfate salt)

Molecular Formula:	C₄₆H₅₆N₄O₁₀	Molecular Weight:	824.957640 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	13

InChIKey: OGWKCGZFUXNPDA-XQKSVPLYSA-N

• Warfarin

IUPAC Name: 2-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-4-one | CAS Registry Number: 81-81-2
Synonyms: warfarin, Coumafene, Prothromadin, Coumadin, Coumafen, Rattentraenke, Coumefene, Panwarfin, Rodafarin, Brumolin, Kypfarin, Rattunal, Solfarin, Warfarat, Dethmor, Dethnel, Kumader, Maveran, Ratorex, Kumadu

Molecular Formula:	C₁₉H₁₆O₄	Molecular Weight:	308.327940 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: QTXVAVXCBMYBJW-UHFFFAOYSA-N

• Zafirlukast

IUPAC Name: cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindol-5-yl]carbamate | CAS Registry Number: 107753-78-6
Synonyms: zafirlukast, Accolate, Olmoran, Accoleit, Aeronix, Zafirst, Respix, Accolate (TN), Zeneca brand of zafirkulast, Zafirlukast [USAN:BAN:INN], Menarini brand of zafirlukast, Novartis brand of zafirlukast, MLS000759421, MLS001424064, Zafirlukast (JAN/USAN/INN), AstraZeneca brand of zafirlukast, ICI-204219, STOCK6S-45610, C31H33N3O6S, CHEBI:10100

Molecular Formula:	C₃₁H₃₃N₃O₆S	Molecular Weight:	575.675220 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: YEEZWCHGZNKEEK-UHFFFAOYSA-N

• Zineb

IUPAC Name: zinc N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate | CAS Registry Number: 12122-67-7
Synonyms: Clortocaffaro, Bombardier, Tritoftorol, Aaphytora, Aphytora, Blightox, Carbadine, Cynkotox, Deikusol, Ditiamina, Hexathane, Kupratsin, Perozine, Taloberg, Zebenide, ZINEB, Asporum, Bercema, Blizene, Crittox

Molecular Formula:	C₄H₆N₂S₄Zn	Molecular Weight:	275.772840 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: AMHNZOICSMBGDH-UHFFFAOYSA-L

• Ziprasidone HCl

IUPAC Name: 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one hydrate hydrochloride | CAS Registry Number: 138982-67-9
Synonyms: Geodon, Ziprasidone, Zeldox, Ziprasidone hydrochloride, Ziprasidone mesylate, Geodon (TN), C21H21ClN4OS.HCl, Ziprasidone hydrochloride [USAN], Ziprasidone hydrochloride monohydrate, Ziprasidone hydrochloride (USAN), ZIPRASIDONE HYDROCHLORIDE HYDRATE, ziprasidone hydrochloride, monohydrate, Ziprasidone hydrochloride hydrate (JAN), CP 88,059-1, CP-88059, LS-173039, CP-88059-01, CP 88-059-01, D01939, 2H-Indol-2-one, 5-(2-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)ethyl)-6-chloro-1,3-dihydro-, monohydrochloride, monohydrate

Molecular Formula:	C₂₁H₂₄Cl₂N₄O₂S	Molecular Weight:	467.411860 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: ZCBZSCBNOOIHFP-UHFFFAOYSA-N

• (S)-N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenylthio)-2-hydroxy-2-methylpropanamide

IUPAC Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanamide | CAS Registry Number: 90356-78-8
Synonyms: N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methylpropionamide, N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)thio)-2-hydroxy-2-methylpropanamide, H-(4-Cyano-3-trifluoromthylphenyl)-3-(4-flourophenylsulfanyl)-2-hydroxy-2-methylpropionamide, Propanamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methyl-, n-(4-cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)thio)-2-hydroxy-2-methylpropionamide, N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methylpropanamide, Bicalutamide Sulfide, SureCN899788, KSC486M2N, AGN-PC-0006AA, UNII-135IE10O4Y, CHEMBL171543, CTK3I6626, MolPort-003-987-412, ANW-46053, AKOS015836118, AC-17498, AK-78897, KB-55905, N767

Molecular Formula:	C₁₈H₁₄F₄N₂O₂S	Molecular Weight:	398.374573 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	8

InChIKey: GCGWWKKSGPETMI-UHFFFAOYSA-N

• 1,2,4 Triazole

IUPAC Name: 1H-1,2,4-triazole | CAS Registry Number: 288-88-0
Synonyms: s-Triazole, 1H-1,2,4-Triazole, 1,2,4-TRIAZOLE, 4H-1,2,4-triazole, 1H-1.2.4-Triazole, MET1075A_SUPELCO, T46108_ALDRICH, 4H-1,2,4-Triazole (VAN), C2H3N3, CHEBI:35550, CHEBI:46077, EINECS 206-022-9, NSC 83128, AIDS023082, AIDS-023082, NSC83128, ZINC04897205, AI3-51031, DB03594, LS-155746

Molecular Formula:	C₂H₃N₃	Molecular Weight:	69.065320 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: NSPMIYGKQJPBQR-UHFFFAOYSA-N

• 2,4-Dichloro-3,5-Dinitrobenzotrifluoride

IUPAC Name: 2,4-dichloro-1,3-dinitro-5-(trifluoromethyl)benzene | CAS Registry Number: 29091-09-6
Synonyms: ZINC02168652, CID94398, EINECS 249-420-8, 2,4-Dichloro-1,3-dinitro-5-(trifluoromethyl)benzene, Benzene, 2,4-dichloro-1,3-dinitro-5-(trifluoromethyl)-

Molecular Formula:	C₇HCl₂F₃N₂O₄	Molecular Weight:	304.995050 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	7

InChIKey: DPQYRXNRGNLPFC-UHFFFAOYSA-N

• 2,5-Dimethylphenol

IUPAC Name: 2,5-dimethylphenol | CAS Registry Number: 95-87-4
Synonyms: p-Xylenol, 2,5-Xylenol, 6-Methyl-m-cresol, Phenol, 2,5-dimethyl-, 2,5-DIMETHYLPHENOL, 3,6-Dimethylphenol, 3,6-Xylenol, 2,5-Dimethyl phenol, 1,2,5-Xylenol, 2-Hydroxy-p-xylene, 2,5-Dmp, 1-Hydroxy-2,5-dimethylbenzene, CCRIS 722, FEMA No. 3595, 1,4-Dimethyl-2-hydroxybenzene, HSDB 5296, D174602_ALDRICH, W359505_ALDRICH, WLN: QR B1 E1, 36714_RIEDEL

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

InChIKey: NKTOLZVEWDHZMU-UHFFFAOYSA-N

• 5-[2-Chloro-4-(Trifluoromethyl)-Phenoxy]-2-Nitrobenzoic Acid

IUPAC Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid | CAS Registry Number: 50594-66-6
Synonyms: Acifluorfen, Acifluorfene, Tackle, Carbofluorfen, Scifluorfen, Blazer, Acifluorfen [BSI:ISO], Acifluorfene [ISO-French], PS1016_SUPELCO, C14H7ClF3NO5, CCRIS 3491, MLS001066351, 34311_RIEDEL, EINECS 256-634-5, PPG-847, CID44073, BRN 2953865, LS-7176, RH 6201, RH-6201

Molecular Formula:	C₁₄H₇ClF₃NO₅	Molecular Weight:	361.657290 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: NUFNQYOELLVIPL-UHFFFAOYSA-N

• 5-Chloro-8-Quinolinoloxine

IUPAC Name: 5-chloroquinolin-8-ol | CAS Registry Number: 130-16-5
Synonyms: cloxyquin, Cloxiquine, Dermofongin, Chlorisept, Chloroxychinolin, Dermofongin A, 5-Chlorooxine, 5-Chloro-8-quinolinol, Dermofungin, 8-Quinolinol, 5-chloro-, Cloxyquin [USAN], Monochlorohydroxyquinoline, Cloxiquine (INN), 5-Chloro-8-oxyquinoline, Cloxyquin (USAN), 5-Chlor-8-chinolinol, Cloxiquinum [INN-Latin], 8-Hydroxy-5-chloroquinoline, Spectrum_000820, 5-Chloroquinolin-8-ol

Molecular Formula:	C₉H₆ClNO	Molecular Weight:	179.603040 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: CTQMJYWDVABFRZ-UHFFFAOYSA-N

• 4-Fluoro-alpha-(2-methyl-1-oxopropyl)-gamma-oxo-N,beta-diphenylbenzenebutaneamide

IUPAC Name: 2-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-phenylpentanamide | CAS Registry Number: 125971-96-2
Synonyms: 2[2-(4-Fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-pentanoic acid phenylamide, 2-(2-(4-fluorophenyl)-2-oxo-1-phenylethyl)-4-methyl-3-oxo-N-phenylpentanamide, 4-Fluoro-Alpha-(2-Methyl-1-Oxopropyl)-Gamma-Oxo-N,Beta-Diphenylbenzene Butaneamide, 2-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-phenylpentanamide, 4-Fluoro-alpha-(2-methyl-1-oxopropyl)-gamma-oxo-N,bata-diphenylbenzene butaneamide, ATORVASTATIN M4, PubChem19818, ACMC-1C6GE, AGN-PC-00GCEO, CTK8B6008, MolPort-019-918-530, ANW-51931, ATORVASTATIN INTERMEDIATE (II), AKOS015840719, AM90284, CL23799, MCULE-1452311956, YF10013, AK-25339, BR-25339

Molecular Formula:	C₂₆H₂₄FNO₃	Molecular Weight:	417.472063 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: SNPBHOICIJUUFB-UHFFFAOYSA-N

• 1-(3-Hydroxymethylpyridin-2-yl)-4-methyl-2-phenylpiperazine

IUPAC Name: methyl (2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride | CAS Registry Number: 141109-19-5
Synonyms: AB1004590

Molecular Formula:	C₁₅H₁₇Cl₂NO₂S	Molecular Weight:	346.271980 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: ZXANKCFSGFEBQW-PFEQFJNWSA-N

• 1,4-Bis-(bromoacetoxy)-2-butene (BBAB)

IUPAC Name: [(E)-4-(2-bromoacetyl)oxybut-2-enyl] 2-bromoacetate | CAS Registry Number: 20679-58-7
Synonyms: Slimacide V 10, Caswell No. 088A, EINECS 243-962-9, NSC 23989, 2-Butene-1,4-diol bis(bromoacetate), 2-Butene-1,4-diyl bis(bromoacetate), 1,4-BIS(BROMOACETOXY)-2-BUTENE, Acetic acid, bromo-, 2-butenylene ester, LS-11135, Acetic acid, bromo-, 2-butene-1,4-diyl ester, Acetic acid, bromo-, 2-butenylene ester (8CI)

Molecular Formula:	C₈H₁₀Br₂O₄	Molecular Weight:	329.970600 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: SIHKVAXULDBIIY-OWOJBTEDSA-N

• 5,6-Dimethoxy-1-Indanone

IUPAC Name: 5,6-dimethoxy-2,3-dihydroinden-1-one | CAS Registry Number: 2107-69-9
Synonyms: 5,6-Dimethoxy-1-indanone, 5,6-Dimethoxyindan-1-one, 147826_ALDRICH, NSC401450, CID75018, EINECS 218-287-8, ZINC00164394, NSC 401450, 1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-, ST5308464, TL8001751, InChI=1/C11H12O3/c1-13-10-5-7-3-4-9(12)8(7)6-11(10)14-2/h5-6H,3-4H2,1-2H

Molecular Formula:	C₁₁H₁₂O₃	Molecular Weight:	192.211180 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: IHMQOBPGHZFGLC-UHFFFAOYSA-N

• 4-Hydroxy Tempo

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:	C₉H₁₈NO₂	Molecular Weight:	172.244720 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: UZFMOKQJFYMBGY-UHFFFAOYSA-N

• 4-Hydroxypiperidine

IUPAC Name: piperidin-4-ol | CAS Registry Number: 5382-16-1
Synonyms: 4-Piperidinol, Piperidin-4-ol, 128775_ALDRICH, NSC62083, 56220_FLUKA, BB_SC-2766, CID79341, EINECS 226-373-1, NSC 62083, TL806407, AI3-39158

Molecular Formula:	C₅H₁₁NO	Molecular Weight:	101.146940 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: HDOWRFHMPULYOA-UHFFFAOYSA-N

• 4-(2,3-Epoxypropoxy)carbazole

IUPAC Name: 4-(oxiran-2-ylmethoxy)-9H-carbazole | CAS Registry Number: 51997-51-4
Synonyms: 4-Glycidyloxycarbazole, 4-Epoxypropanoxycarbazole, 4-(oxiran-2-ylmethoxy)-9H-carbazole, 4-(2,3-Epoxypropoxy)-carbazole, 4-(2-oxiranylmethoxy)-9H-carbazole, (S)-4-(2,3-Epoxypropoxy)-9H-carbazole, 9H-Carbazole, 4-(oxiranylmethoxy)-, (R)-, PubChem9367, ACMC-20epf7, ACMC-209kx8, 4-Oxiranylmethoxy-carbazole, AC1NN40L, UNII-VX4N43V2E1, KSC496E2T, 4-Oxiranylmethoxy-9H-carbazole, AGN-PC-00628C, CTK3J6229, MolPort-003-847-071, 4-(2,3-epoxypropaneoxy)carbazole, 9H-Carbazole, 4-(oxiranylmethoxy)-

Molecular Formula:	C₁₅H₁₃NO₂	Molecular Weight:	239.269220 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: SVWKIGRDISDRLO-UHFFFAOYSA-N

• 2,6-Dimethylbenzyl chloride

IUPAC Name: 2-(chloromethyl)-1,3-dimethylbenzene | CAS Registry Number: 5402-60-8
Synonyms: NSC5166, NSC97101, CID221154

Molecular Formula:	C₉H₁₁Cl	Molecular Weight:	154.636640 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: HPVRFWQMBYLJRL-UHFFFAOYSA-N

• [(Diphenylmethyl)thio]acetamide

IUPAC Name: 2-benzhydrylsulfanylacetamide | CAS Registry Number: 68524-30-1
Synonyms: 2-[(DIPHENYLMETHYL)THIO]ACETAMIDE, Diphenylmethyl Thioacetamide, 2-Benzhydrylsulfanyl-acetamide, 2-[(Diphenylmethyl)thio]-acetamide, AG-G-64065, PubChem19513, SureCN1537233, 2-(Benzhydrylthio)acetamide;, KSC493O9F, ACE003, 2-(Benzhydrylsulphanyl)acetamide, CTK3J3792, MolPort-005-935-534, 2-(diphenylmethyl)sulfanylethanamide, RW2765, ZINC00009766, 2-[(diphenylmethyl)sulfanyl]acetamide, Acetamide, 2-[(diphenylmethyl)thio]-, AKOS015888234, 2-[(Diphenylmethyl)sulphanyl]acetamide

Molecular Formula:	C₁₅H₁₅NOS	Molecular Weight:	257.350700 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: HCRQRIFRHGPWBH-UHFFFAOYSA-N

• 4-(N-Ethyl-N-2-methanesulfonylaminoethyl)-2-methylphenylenediamine

IUPAC Name: N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide; N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide; sulfuric acid | CAS Registry Number: 25646-71-3
Synonyms: Kodak CD-3, CD III, CD 3, FCD 03, EINECS 247-161-5, CD 003, NSC 164932, LS-90070, N-(2-(4-Amino-N-ethyl-m-toluidino)ethyl)methanesulfonamide sulfate (2:3), N-(2-(4-Amino-N-ethyl-m-toluidino)ethyl)methanesulphonamide sesquisulphate, Methanesulfonamide, N-(2-((4-amino-3-methylphenyl)ethylamino)ethyl)-, sulfate (2:3), Methanesulfonamide, N-(2-(4-amino-N-ethyl-m-toluidino)ethyl)-, sulfate (2:3), Methanesulfonamide, N-[2-[(4-amino-3-methylphenyl)ethylamino]ethyl]-, sulfate (2:3), N-{2-[(4-amino-3-methylphenyl)(ethyl)amino]ethyl}methanesulfonamide sulfate (2:3), 161061-60-5, 92-09-1

Molecular Formula:	C₂₄H₄₈N₆O₁₆S₅	Molecular Weight:	836.993520 [g/mol]
H-Bond Donor:	10	H-Bond Acceptor:	22

InChIKey: NPDFXFLCEDDWEG-UHFFFAOYSA-N

• 2,2-Dimethylvaleric Acid

IUPAC Name: 2,2-dimethylpentanoic acid | CAS Registry Number: 1185-39-3
Synonyms: Neoheptanoic acid, 2,2-Dimethylpentanoic acid, 2,2-DIMETHYLVALERIC ACID, Pentanoic acid, 2,2-dimethyl-, Valeric acid, 2,2-dimethyl-, alpha,alpha-Dimethylvaleric acid, 41740_ALDRICH, 41740_FLUKA, EINECS 214-682-4, NSC 61983, CID14455, NSC61983, BRN 1747703, LMFA01020085, .alpha.,.alpha.-Dimethylvaleric acid, FR-0287, alpha,alpha-DIMETHYL-n-VALERIC ACID, Pentanoic acid, 2,2-dimethyl- (9CI), LS-161077, 4-02-00-00976 (Beilstein Handbook Reference)

Molecular Formula:	C₇H₁₄O₂	Molecular Weight:	130.184860 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: ZRYCZAWRXHAAPZ-UHFFFAOYSA-N

• 6-Methoxy-2-(4-methoxyphenyl)benzo[b]thiophene

IUPAC Name: 6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene | CAS Registry Number: 63675-74-1
Synonyms: 561290_ALDRICH, EINECS 264-408-2, ZINC00385624, 7M-358S, TL8004455, 6-Methoxy-2-(4-methoxyphenyl)benzo(b)thiophene, 6-methoxy-2-(4-methoxy-phenyl)-benzo[b]thiophene

Molecular Formula:	C₁₆H₁₄O₂S	Molecular Weight:	270.346160 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: HRWAGCVMOGWQJF-UHFFFAOYSA-N

• 4-Choromethyl-5-methyl-2-oxo-1,3-dioxole

IUPAC Name: 4-(chloromethyl)-5-methyl-1,3-dioxol-2-one | CAS Registry Number: 80841-78-7
Synonyms: 4-Chloromethyl-5-methyl-1,3-dioxol-2-one, 4-(chloromethyl)-5-methyl-1,3-dioxol-2-one, 4-Cloromethyl-5-methyl-1,3-dioxol-2-one, 4-chloromethyl-5-methyl-1,3-dioxolen-2-one, PubChem10542, SureCN94170, ACMC-209pk7, KSC490E4R, DIO022, CTK3J0248, MolPort-003-987-256, ANW-37397, SBB070689, ZINC21300263, AKOS006380113, AG-A-74457, LS40764, QC-1471, RP17353, RP21241

Molecular Formula:	C₅H₅ClO₃	Molecular Weight:	148.544400 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: QCLFSYYUWPUWQR-UHFFFAOYSA-N