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• 2,3-Dichloro-5-(Trifluoromethyl)Pyridine
IUPAC Name: 2,3-dichloro-5-(trifluoromethyl)pyridine | CAS Registry Number: 69045-84-7
Synonyms: 366145_ALDRICH, ZINC00499394, 2,3-Dichloro-5-(trifluoromethyl)pyridine, CID112234, SBB006729, 2,3-Dichloro-5-trifluoromethylpyridine, D277, TL8004835, Pyridine, 2,3-dichloro-5-(trifluoromethyl)-

Molecular Formula: C6H2Cl2F3NMolecular Weight: 215.987990 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: ABNQGNFVSFKJGI-UHFFFAOYSA-N

• 2-Chloromethyl-3,4-Dimethoxy Pyridine
IUPAC Name: 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfanyl]-1H-benzimidazole | CAS Registry Number: 103577-40-8
Synonyms: LANSOPRAZOLE SULFIDE, 2-[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylthio-1H-benzimidazole, 2-(((3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl)methyl)thio)-1H-benzo[d]imidazole, 2-[((3-METHYL-4-[2,2,2-, H 225/18, 1H-Benzimidazole,2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]thio]-, 2-[[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]thio]-1H-benzimidazole, 1H-Benzimidazole, 2-(((3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl)methyl)thio)-, 1H-Benzimidazole, 2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]thio]-, Lansoprazole sulfide;, PubChem7131, SMR000119917, ACMC-209wfq, CHEMBL899, SureCN106519, AC1LM0R3, LANSOPRAZOLE SULPHIDE, MLS000122531, LANSOPRAZOLE IMPURITY C, Lansoprazole impurity C [EP]

Molecular Formula: C16H14F3N3OSMolecular Weight: 353.362070 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: CCHLMSUZHFPSFC-UHFFFAOYSA-N

• 2,3-Dichloro Benzoyl Chloride
IUPAC Name: 2,3-dichlorobenzoyl chloride | CAS Registry Number: 2905-60-4
Synonyms: Ambap2006, Benzoyl chloride, dichloro-, DICHLOROBENZOYL CHLORIDE, EINECS 246-643-2, HSDB 5901, 2,3-DICHLOROBENZOYL CHLORIDE, Benzoyl chloride, 2,3-dichloro-, EINECS 220-811-5, ZINC05227143, LS-42600, TL8002291, 25134-08-1

Molecular Formula: C7H3Cl3OMolecular Weight: 209.457120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: YBONBWJSFMTXLE-UHFFFAOYSA-N

• 5'-Deoxy-5-FluoroUridine (DFUR, Doxifluridine)
IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione | CAS Registry Number: 3094-09-5
Synonyms: doxifluridine, Furtulon, Flutron, doxyfluridine, 5'-Doxifluridine, 5'-Deoxy-5-fluorouridine, Furtulon (TN), 5-Fluorodeoxyuridine, 5'-Dfur, 5'dFUrd, 5-fluoro-5'-deoxyuridine, Doxifluridine [INN:JAN], Doxifluridinum [INN-Latin], Doxifluridina [INN-Spanish], 5'FDUR, 5-DFUR, Uridine-5'-deoxy-5-fluoro-, 5'-fluoro-5'-deoxyuridine, Doxifluridine (JP15/INN), Uridine, 5'-deoxy-5-fluoro-

Molecular Formula: C9H11FN2O5Molecular Weight: 246.192443 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: ZWAOHEXOSAUJHY-ZIYNGMLESA-N

• 5-Methoxylindole
IUPAC Name: 5-methoxy-1H-indole | CAS Registry Number: 1006-94-6
Synonyms: Femedol, 5-Methoxy-1H-indole, 5-METHOXYINDOLE, Indole, 5-methoxy-, 1H-Indole, 5-methoxy-, Methoxy-5 indole, Indol-5-yl methyl ether, Methoxy-5 indole [French], M14900_ALDRICH, 1H-Indol-5-yl methyl ether, Methoxy-5 indole [French], WLN: T56 BMJ GO1, EINECS 213-745-3, 1H-Indole, 5-methoxy- (9CI), NSC 521752, CID13872, NSC521752, SBB004094, ZINC00158156, M2323G1

Molecular Formula: C9H9NOMolecular Weight: 147.173860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: DWAQDRSOVMLGRQ-UHFFFAOYSA-N

• 3-Methacryloxypropyltrimethoxysilane
IUPAC Name: 3-trimethoxysilylpropyl 2-methylprop-2-enoate | CAS Registry Number: 2530-85-0
Synonyms: Dynasylan MEMO, Mops-M, Silicone A-174, Union carbide A-174, Silane A174, NUCA 174, Methacryloxypropyltrimethoxysilane, 3-(Trimethoxysilyl)propyl methacrylate, KBM 503, KDM 503, NCIOpen2_005869, Methacryloyloxypropyltrimethoxysilane, HSDB 5468, M6514_SIGMA, Dow Corning product Z-6030, 440159_ALDRICH, 3-Trimethoxysilylpropyl methacrylate, 64208_FLUKA, EINECS 219-785-8, Silane, 3-methacryloxypropyltrimethoxy-

Molecular Formula: C10H20O5SiMolecular Weight: 248.348300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: XDLMVUHYZWKMMD-UHFFFAOYSA-N

• (+)-Monocalciumbis{(3r,5s,6e)-7-[2-Cyclopropyl-4-(4-Fluorophenyl)-3-Quinolyl]-3,5-Dihydroxy-6-Heptenoate}
IUPAC Name: calcium (E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate | CAS Registry Number: 147526-32-7
Synonyms: Livalo, Nisvastatin, Itavastatin, Pitavastatin, Pitavastatin calcium, Itavastatin calcium, Livalo (TN), Pitavastatin hemicalcium, Pitavastatin calcium (JAN), 2C25H23FNO4.Ca, NK 104, NK-104, NKS-104, CID5282451, LS-74595, D01862, P 872441, P-872441, 6-Heptenoic acid, 7-(2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl)-3,5-dihydroxy-, calcium salt (2:1), (S-(R*,S*-(E)))-, Bis((3R,5S,6E)-7-(2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl)-3,5-dihydroxy-6-heptenoate), monocalcium salt

Molecular Formula: C50H46CaF2N2O8Molecular Weight: 880.983646 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 12

InChIKey: RHGYHLPFVJEAOC-FFNUKLMVSA-L

• 1-[(4-Chlorophenyl)benzyl]piperazine dihydrochloride
IUPAC Name: 1-[(4-chlorophenyl)-phenylmethyl]piperazine hydrochloride | CAS Registry Number: 18719-22-7
Synonyms: Norchlorcyclizine HCl, Norchlorcyclizine hydrochloride, 303-26-4 (Parent), EINECS 242-526-5, EINECS 212-972-5, CID101896, LS-111204, 1-((4-Chlorophenyl)benzyl)piperazine hydrochloride, 1-((4-Chlorophenyl)benzyl)piperazinium chloride, Piperazine, 1-((4-chlorophenyl)phenylmethyl)-, hydrochloride, Piperazine, 1-(alpha-(4-chlorophenyl)benzyl)-, hydrochloride, Piperazine, 1-(p-chloro-alpha-phenylbenzyl)-, hydrochloride, 894-56-4

Molecular Formula: C17H20Cl2N2Molecular Weight: 323.260100 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: XFIUZNUONMJUIH-UHFFFAOYSA-N

• 1,3-Dichloroacetone
IUPAC Name: 1,3-dichloropropan-2-one | CAS Registry Number: 534-07-6
Synonyms: s-Dichloroacetone, sym-Dichloroacetone, 1,3-Dichloropropanone, sGQDLHbqBRwSP@, Bis(chloromethyl) ketone, 2-Propanone, 1,3-dichloro-, Bis(chloromethyl)ketone, 1,3-Dichloro-2-propanone, Acetone, 1,3-dichloro, Ambap2889, BISCHLOROMETHYL KETONE, .alpha.,.alpha.'-Dichloroacetone, CCRIS 1942, 1,3-Dichloroacetona [Spanish], 1,3-Dichloroacetone solution, Dichloro-1,3 acetone [French], HSDB 6391, 168548_ALDRICH, NSC 8745, .alpha.,.gamma.-Dichloroacetone

Molecular Formula: C3H4Cl2OMolecular Weight: 126.969260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: SUNMBRGCANLOEG-UHFFFAOYSA-N

• 2-Aminopyridine
IUPAC Name: pyridin-2-amine | CAS Registry Number: 504-29-0
Synonyms: 2-Pyridinamine, 2-AMINOPYRIDINE, 2-Pyridylamine, o-Aminopyridine, 2-Aminopryidine, Aminopyridine, Pyridinamine, pyridin-2-amine, alpha-Pyridinamine, alpha-Pyridylamine, Amino-2 pyridine, Pyridine, amino-, 2-Pyridinylnitrene, alpha-Aminopyridine, 2-pyridinylamine, Pyridine, 2-amino-, .beta.-Pyridylamine, .alpha.-Pyridinamine, .alpha.-Pyridylamine, Pyridinamine (9CI)

Molecular Formula: C5H6N2Molecular Weight: 94.114540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ICSNLGPSRYBMBD-UHFFFAOYSA-N

• 4-Chloro-3-Sulfamoyl Benzoic Acid
IUPAC Name: 4-chloro-3-sulfamoylbenzoic acid | CAS Registry Number: 1205-30-7
Synonyms: CSBA, 4-Chloro-3-sulfamoylbenzoic acid, Sulfamido-3-chlorobenzoic acid, Oprea1_356117, 4-Chloro-5-sulphamoylbenzoic acid, 293598_ALDRICH, EINECS 214-882-1, CID14568, BRN 2118346, Benzoic acid, 3-(aminosulfonyl)-4-chloro-, BENZOIC ACID, 4-CHLORO-3-SULFAMOYL-, LS-36653, TL806358, ST5319885

Molecular Formula: C7H6ClNO4SMolecular Weight: 235.644840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: FHQAWINGVCDTTG-UHFFFAOYSA-N

• 4-Methyoxy Benzyl Cyanide
IUPAC Name: 2-(4-methoxyphenyl)acetonitrile | CAS Registry Number: 104-47-2
Synonyms: Anisylacetonitrile, p-Methoxybenzyl cyanide, 4-Methoxyphenylacetonitrile, p-Methoxyphenylacetonitrile, p-Methoxybenzeneacetonitrile, Benzeneacetonitrile, 4-methoxy-, 4-Methoxybenzyl cyanide, Acetonitrile, (p-methoxyphenyl)-, NSC 96, NSC96, (4-methoxyphenyl)acetonitrile, 169986_ALDRICH, EINECS 203-206-0, BRN 0509162, ZINC00157051, LS-13281, SB 01293, 4-10-00-00555 (Beilstein Handbook Reference)

Molecular Formula: C9H9NOMolecular Weight: 147.173860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: PACGLQCRGWFBJH-UHFFFAOYSA-N

• (S)-3-Aminopyrrolidine
IUPAC Name: (3S)-pyrrolidin-3-amine | CAS Registry Number: 128345-57-3
Synonyms: (3S)-(-)-3-Aminopyrrolidine, (S)-pyrrolidin-3-amine, (S)-(-)-3-Aminopyrrolidine, AG-D-58481, PubChem5729, (3S)-3-Aminopyrrolidine, (3S)-pyrrolidin-3-amine, SureCN336177, 3-Pyrrolidinamine,(3S)-, AC1LU30H, 540803_ALDRICH, CTK4B5913, MolPort-000-000-473, ANW-19062, AKOS006238850, AKOS015854202, AK109063, KB-01633, FT-0081989, A44020

Molecular Formula: C4H10N2Molecular Weight: 86.135600 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: NGXSWUFDCSEIOO-BYPYZUCNSA-N

• 4-Chloro-N-Methyl Piperidine
IUPAC Name: 4-chloro-1-methylpiperidine | CAS Registry Number: 5570-77-4
Synonyms: 4-Chloro-1-methylpiperidine, 4-Chloro-N-methylpiperidine, Piperidine, 4-chloro-1-methyl-, EINECS 226-942-4, 4-Chloro-N-methylpiperidine hydrochloride, 1-Methyl-4-chloropiperidine hydrochloride, TL8003636

Molecular Formula: C6H12ClNMolecular Weight: 133.619180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: MYGXGCCFTPKWIH-UHFFFAOYSA-N

• 1-Amino 4-Methyl Piperazine
IUPAC Name: 4-methylpiperazin-1-amine | CAS Registry Number: 6928-85-4
Synonyms: 1-Amino-4-methylpiperazine, 1-Piperazinamine, 4-methyl-, 4-Methylpiperazin-1-amine, A65131_ALDRICH, 255688_ALDRICH, NSC80649, CID81349, EINECS 230-053-7, NSC 80649, SBB004299, 1-Amino-4-methylpiperazine dihydrochloride monohydrate

Molecular Formula: C5H13N3Molecular Weight: 115.176820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: RJWLLQWLBMJCFD-UHFFFAOYSA-N

• 2-Amino-6-Chloropurine
IUPAC Name: 6-chloro-7H-purin-2-amine | CAS Registry Number: 10310-21-1
Synonyms: 6-Chloroguanine, 2-Amino-6-chloropurine, 2-Amino-6-chlorpurine, 6-Chloro-2-aminopurine, Purine, 2-amino-6-chloro-, 1H-Purin-2-amine, 6-chloro-, 6-Chloro-7H-purin-2-ylamine, 109789_ALDRICH, 342300_ALDRICH, EINECS 233-686-7, 6-CHLORO-1H-PURIN-2-AMINE, NSC 29570, AIDS024269, AIDS-024269, NSC29570, SBB003863, ZINC03860888, 1H-Purin-2-amine, 6-chloro- (9CI), LS-126471, C-4110

Molecular Formula: C5H4ClN5Molecular Weight: 169.571760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: RYYIULNRIVUMTQ-UHFFFAOYSA-N

• 2-Thiopheneacetic Acid
IUPAC Name: 2-thiophen-2-ylacetic acid | CAS Registry Number: 1918-77-0
Synonyms: 2-Thiopheneacetic acid, 2-Thienylacetic acid, Thiopheneacetic acid, 1ajq, Thien-2-ylacetate, thien-2-ylacetic acid, thiophen-2-ylacetic acid, THIOPHENE-2-ACETIC ACID, 195944_ALDRICH, 2-THIOPHENE ACETIC ACID, CHEBI:45807, AIDS018338, AIDS-018338, EINECS 217-639-8, SBB004145, TL8001569, C02595, SPA, 69492-74-6

Molecular Formula: C6H6O2SMolecular Weight: 142.175640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: SMJRBWINMFUUDS-UHFFFAOYSA-N

• 4-Fluoro Benzotrifluoride
IUPAC Name: 1-fluoro-4-(trifluoromethyl)benzene | CAS Registry Number: 402-44-8
Synonyms: p-Fluorobenzotrifluoride, 4-Fluorobenzotrifluoride, p-Fluorotrifluoromethylbenzene, NCIOpen2_001285, p-(Trifluoromethyl)fluorobenzene, 1-Fluoro-4-(trifluoromethyl)benzene, 195359_ALDRICH, alpha,alpha,alpha,4-Tetrafluorotoluene, Benzene, 1-fluoro-4-(trifluoromethyl)-, JRD-0200, NSC88289, EINECS 206-944-1, NSC 88289, ZINC00164437, alpha,alpha,alpha,p-Tetrafluorotoluene, Toluene, p,alpha,alpha,alpha-tetrafluoro-, ST5406422, .alpha.,.alpha.,.alpha.,p-Tetrafluorotoluene, p,.alpha.,.alpha.,.alpha.-Tetrafluorotoluene, Toluene, p,.alpha.,.alpha.,.alpha.-tetrafluoro-

Molecular Formula: C7H4F4Molecular Weight: 164.100273 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: UNNNAIWPDLRVRN-UHFFFAOYSA-N

• 2-Fluoropyridine
IUPAC Name: 2-fluoropyridine | CAS Registry Number: 372-48-5
Synonyms: PYRIDINE, 2-FLUORO-, CCRIS 1725, F15250_ALDRICH, NSC 5077, EINECS 206-757-5, NSC5077, BB_SC-3368, BRN 0001515, ZINC01680673, AI3-28562, F177, TL806105, LS-131609, 5-20-05-00397 (Beilstein Handbook Reference), InChI=1/C5H4FN/c6-5-3-1-2-4-7-5/h1-4

Molecular Formula: C5H4FNMolecular Weight: 97.090363 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MTAODLNXWYIKSO-UHFFFAOYSA-N

• 2,3-Dichloropyridine
IUPAC Name: 2,3-dichloropyridine | CAS Registry Number: 2402-77-9
Synonyms: 2,3-DICHLOROPYRIDINE, Pyridine, 2,3-dichloro-, WLN: T6NJ BG CG, CCRIS 1726, D73405_ALDRICH, PYRIDINE,2,3-DICHLORO, EINECS 219-281-8, NSC 298535, BRN 0109811, NSC298535, ZINC00333069, D209, LS-131361, PB278179258, 5-20-05-00415 (Beilstein Handbook Reference), AF-834/25002667, InChI=1/C5H3Cl2N/c6-4-2-1-3-8-5(4)7/h1-3

Molecular Formula: C5H3Cl2NMolecular Weight: 147.990020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: MAKFMOSBBNKPMS-UHFFFAOYSA-N

• (R)-2-Hydroxy-4-phenylbutyric acid
IUPAC Name: (2R)-2-hydroxy-4-phenylbutanoic acid | CAS Registry Number: 267013-77-4
Synonyms: 29678-81-7, (R)-(-)-2-Hydroxy-4-phenylbutyric acid, (2R)-2-hydroxy-4-phenylbutanoic acid, (R)-2-Hydroxy-4-phenylbutanoicAcid, (R)-2-hydroxy-4-phenylbutanoic acid, PubChem5687, SureCN233440, AC1MC05S, 420085_ALDRICH, AC1Q59Q5, Jsp005621, CTK4F8369, MolPort-001-794-060, ANW-26676, (r)-2-hydroxy-4-phenyl-butyric acid, AKOS015855449, AC-6643, R-(-)-2-Hydroxy-4-phenylbutyric acid, AK-34569, BR-34569

Molecular Formula: C10H12O3Molecular Weight: 180.200480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: JNJCEALGCZSIGB-SECBINFHSA-N

• (R)-(-)-Epichlorohydrin
IUPAC Name: 2-(chloromethyl)oxirane | CAS Registry Number: 51594-55-9
Synonyms: EPICHLOROHYDRIN, Epichlorhydrin, Glycidyl chloride, Epichlorophydrin, 2-(Chloromethyl)oxirane, Chloromethyloxirane, epi-Chlorohydrin, alpha-Epichlorohydrin, Chloropropylene oxide, Chloropropylene, Epichlorhydrine, Epicloridrina, Chloromethyl, Oxirane, (chloromethyl)-, Polidexide, SKEKhG, Epichloorhydrine, Epichlorohydryna, 1-Chloro-2,3-epoxypropane, Glycerol epichlorohydrin

Molecular Formula: C3H5ClOMolecular Weight: 92.524200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: BRLQWZUYTZBJKN-UHFFFAOYSA-N

• 4-Methoxypyridine
IUPAC Name: 4-methoxypyridine | CAS Registry Number: 620-08-6
Synonyms: Pyridine, 4-methoxy-, .gamma.-Methoxypyridine, Ambap3937, methyl pyridin-4-yl ether, 460621_ALDRICH, EINECS 210-624-7, ZINC00330918, M113, TL8004012, AC-907/25004551, InChI=1/C6H7NO/c1-8-6-2-4-7-5-3-6/h2-5H,1H

Molecular Formula: C6H7NOMolecular Weight: 109.125880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: XQABVLBGNWBWIV-UHFFFAOYSA-N

• (S)-(+)-Epichlorohydrin
IUPAC Name: (2S)-2-(chloromethyl)oxirane | CAS Registry Number: 67843-74-7
Synonyms: (S)-Epichlorohydrin, (S)-(Chloromethyl)oxirane, 2-(Chloromethyl)oxirane, (S)-()-Epichlorohydrin, CCRIS 6388, oxirane, 2-(chloromethyl)-, (2S)-2-(chloromethyl)oxirane, 540080_ALDRICH, Oxirane, (chloromethyl)-, (S)-, 45327_FLUKA, CHEBI:37145, (S)-()-2-(Chloromethyl)oxirane, BRN 1420784, ZINC01487602, SB 02049, LS-101031, TL8004778, 5-17-01-00021 (Beilstein Handbook Reference), InChI=1/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H, 106-89-8

Molecular Formula: C3H5ClOMolecular Weight: 92.524200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: BRLQWZUYTZBJKN-GSVOUGTGSA-N

• 2-(4-Methoxyphenyl)-2-(1-hydroxycyclohexyl)ethylamine hydrochloride
IUPAC Name: 1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol | CAS Registry Number: 93413-77-5
Synonyms: Dinorvenlafaxine, 1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexanol, 1-(2-amino-1-(4-methoxyphenyl)ethyl)cyclohexanol, 1-(2-Amino-1-(p-methoxyphenyl)ethyl)cyclohexanol, 1-[2-Amino-1-(p-methoxyphenyl)ethyl]cyclohexanol, N,N-Didesmethylvenlafaxine, SureCN637250, CHEMBL98158, UNII-3235EO37UJ, D,L-N,N-Didesmethylvenlafaxine, CTK7E2043, D,L-N,N-Didesmethyl Venlafaxine, CHEBI:261155, MolPort-003-846-639, AKOS015994493, N,N-Didesmethylvenlafaxine, (+/-)-, AG-C-20042, AG-H-81880, MCULE-7209143972, SS-3413

Molecular Formula: C15H23NO2Molecular Weight: 249.348620 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: SUQHIQRIIBKNOR-UHFFFAOYSA-N

• 1,4-Benzodioxane-2-Carboxylic Acid
IUPAC Name: 2,3-dihydro-1,4-benzodioxine-3-carboxylic acid | CAS Registry Number: 34385-93-8
Synonyms: 1,4-Benzodioxan-2-carboxylic acid, 3663-80-7, 1,4-Benzodioxane-2-carboxylic Acid, 2,3-dihydro-1,4-benzodioxine-2-carboxylic acid, 1,4-Benzodioxan-2-carboxylicacid, 2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid, 2H,3H-benzo[e]1,4-dioxane-2-carboxylic acid, CDS1_000297, ACMC-1CUSQ, Maybridge1_002585, ChemDiv2_003276, SureCN229498, AC1MC3C7, UNII-T9Z56HV1B0, Oprea1_073520, KSC222G6B, DivK1c_001337, 561371_ALDRICH, AC1Q74Q6, BEN022

Molecular Formula: C9H8O4Molecular Weight: 180.157420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HMBHAQMOBKLWRX-UHFFFAOYSA-N

• 3-Mercaptopropyltriethoxysilane
IUPAC Name: 3-triethoxysilylpropane-1-thiol | CAS Registry Number: 14814-09-6
Synonyms: 3-(Triethoxysilyl)propanethiol, (3-Mercaptopropyl)triethoxysilane, 63797_ALDRICH, Triethoxy(3-mercaptopropyl)silane, KH 590, 3-(Triethoxysilyl)propyl mercaptan, 3-Triethoxysilyl-1-propanethiol, Propanethiol, 3-(triethoxysilyl)-, 63797_FLUKA, EINECS 238-883-1, (gamma-Mercaptopropyl)triethoxysilane, MolPort-003-938-034, Silane, (3-mercaptopropyl)triethoxy-, 1-Propanethiol, 3-(triethoxysilyl)-, CID84658, BRN 2039575, BBV-213173, LS-121066, M1505, 133404-71-4

Molecular Formula: C9H22O3SSiMolecular Weight: 238.419680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: DCQBZYNUSLHVJC-UHFFFAOYSA-N

• 1-8-Octanediol
IUPAC Name: octane-1,8-diol | CAS Registry Number: 629-41-4
Synonyms: 1,8-Octanediol, Octamethylene glycol, Octane-1,8-diol, Octan-1,8-diol, O3303_ALDRICH, 74840_FLUKA, CHEBI:44630, AIDS017557, AIDS-017557, CID69420, NSC81228, EINECS 211-090-8, ZINC01574321, TL8004325, C14218, O-1000, ODI

Molecular Formula: C8H18O2Molecular Weight: 146.227320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: OEIJHBUUFURJLI-UHFFFAOYSA-N

• 2-Chloro-3-Cyanopyridine
IUPAC Name: 2-chloropyridine-3-carbonitrile | CAS Registry Number: 6602-54-6
Synonyms: 2-Chloronicotinonitrile, 2-Chloronicotinoitrile, 3-Cyano-2-chloropyridine, 2-Chloro-3-cyano-pyridine, NCIOpen2_000476, 535338_ALDRICH, 2-Chloro-3-pyridinecarbonitrile, NSC73287, ZERO/005552, CID81079, EINECS 229-550-1, ZINC00091827, NCI60_041599, TL806172

Molecular Formula: C6H3ClN2Molecular Weight: 138.554420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: JAUPUQRPBNDMDT-UHFFFAOYSA-N

• 4-Amino-1,2,4-Triazole
IUPAC Name: 1,2,4-triazol-4-amine | CAS Registry Number: 584-13-4
Synonyms: 4-Amino-1,2,4-triazole, 4H-1,2,4-Triazol-4-amine, 1-Amino-1,3,4-triazole, 4-Amino-4H-1,2,4-triazole, 1-Amino-1H-1,3,4-triazole, 4-Amino-1,2,4(4H)-triazole, A81803_ALDRICH, 4H-1,2,4-Triazol-4-ylamine, 4H-1,2,4-TRIAZOLE, 4-AMINO-, NSC 3263, NSC 7242, 09550_FLUKA, EINECS 209-533-5, NSC3263, NSC7242, AIDS074825, AIDS-074825, BRN 0107563, SBB004399, ZINC04692512

Molecular Formula: C2H4N4Molecular Weight: 84.079960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: FMCUPJKTGNBGEC-UHFFFAOYSA-N

• 2,5-Dibromo-3-methylpyridine
IUPAC Name: 2,5-dibromo-3-methylpyridine | CAS Registry Number: 3430-18-0
Synonyms: 2,5-Dibromo-3-picoline, 637661_ALDRICH, 652865_ALDRICH, ZINC00331806, CID817680, SBB003143, TL8002556, AC-907/30003010

Molecular Formula: C6H5Br2NMolecular Weight: 250.918600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: LIMXEVCFAUTBCK-UHFFFAOYSA-N

• 4-Pipecoline
IUPAC Name: 4-methylpiperidine | CAS Registry Number: 626-58-4
Synonyms: 4-Methylpiperidine, gamma-Pipecoline, Piperidine, 4-methyl-, .gamma.-Pipecoline, 4-Pipecoline (8CI), M73206_ALDRICH, NSC66495, EINECS 210-954-1, NSC 66495, AI3-52235, ST5213821, TL8004227, InChI=1/C6H13N/c1-6-2-4-7-5-3-6/h6-7H,2-5H2,1H

Molecular Formula: C6H13NMolecular Weight: 99.174120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: UZOFELREXGAFOI-UHFFFAOYSA-N

• (R)-2-Tetrahydrofuroic acid
IUPAC Name: (2R)-oxolane-2-carboxylic acid | CAS Registry Number: 87392-05-0
Synonyms: (R)-(+)-2-Tetrahydrofuroic acid, (R)-(+)-Tetrahydro-2-furoic acid, (R)-(+)-Tetrahydrofuran-2-carboxylic Acid, (2R)-oxolane-2-carboxylic acid, D-Tetrahydro-furan-2-carboxylic acid, (r)-tetrahydro-2-furoic acid, 2-Furancarboxylic acid, tetrahydro-, (2R)-, (r)-tetrahydrofuran-2-carboxylic acid, AG-H-52598, (S)-2-Tetrahydrofuroic acid, r-thfc, TETRAHYDROFURAN-2-CARBOXYLIC ACID, PubChem5796, AC1MC1QW, SureCN353229, r-tetrahydro-2-furoic acid, AC1Q71DT, AC1Q71DU, (r)-2-tetrahydrofuroic acid, KSC448A3B

Molecular Formula: C5H8O3Molecular Weight: 116.115220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: UJJLJRQIPMGXEZ-SCSAIBSYSA-N

• 2-Methoxy-6-methylaminopyridine
IUPAC Name: 6-methoxy-N-methylpyridin-2-amine | CAS Registry Number: 88569-83-9
Synonyms: Ambap2289, 2-Methoxy-6-(methylamino)pyridine, M131, TL806337

Molecular Formula: C7H10N2OMolecular Weight: 138.167100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GXHQLRBOZRJHPZ-UHFFFAOYSA-N

• 1-Bromo-3,5-dimethyladamantane
IUPAC Name: 1-bromo-3,5-dimethyladamantane | CAS Registry Number: 941-37-7
Synonyms: NCIOpen2_006758, 187844_ALDRICH, EINECS 213-378-9, NSC102293, ST5410687, 1-Bromo-3,5-dimethyltricyclo(3.3.1.13,7)decane, Tricyclo[3.3.1.1(3,7)-]decane, 1-bromo-3,5-dimethyl-

Molecular Formula: C12H19BrMolecular Weight: 243.183260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: QUCXLVDIVQWYJR-UHFFFAOYSA-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: C6H14N2Molecular Weight: 114.188760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: SSJXIUAHEKJCMH-PHDIDXHHSA-N

• 3-Methyl-4-nitropyridine-N-oxide
IUPAC Name: 3-methyl-4-nitro-1-oxidopyridin-1-ium | CAS Registry Number: 1074-98-2
Synonyms: 3-Methyl-4-nitropyridine N-oxide, 3-Methyl-4-nitropyridine 1-oxide, 4-Nitro-3-picoline 1-oxide, 4-Nitro-3-picoline-N-oxide, 4-Nitro-beta-picoline N-oxide, CCRIS 1143, 4-Nitro-3-methylpyridine N-oxide, 5-Methyl-4-nitropyridine N-oxide, NCIOpen2_000628, WLN: T6NJ AOC1 DNW, 3-Picoline, 4-nitro-, 1-oxide, 4-Nitro-3-picoline, 1-oxide, WLN: T6NJ AO C1 DNW, EINECS 214-050-8, 4-Nitro-.beta.-picoline N-oxide, NSC 74203, Pyridine, 3-methyl-4-nitro-, 1-oxide, ZINC01620653, NSC 168202, 370061_SIAL

Molecular Formula: C6H6N2O3Molecular Weight: 154.123440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: SSOURMYKACOBIV-UHFFFAOYSA-N

• 4-Hydroxybenzyl Cyanide (CAS: 14191-95-)
• 2-Bromo-2-(2'-chlorophenyl)acetic acid
IUPAC Name: 2-bromo-2-(2-chlorophenyl)acetic acid | CAS Registry Number: 29270-30-2
Synonyms: alpha-Bromo-2-chlorophenylacetic acid, 2-bromo-2-(2-chlorophenyl)acetic Acid, 141109-25-3, a-Bromo 2-chlorophenylacetic acid, SBB063226, alpha-Bromo-2-chlorophenyl acetic acid, 2-Bromo-2-(2'-chlorophenyl) acetic acid, 2-Bromo-2-(2 -chlorophenyl) acetic acid, AC1MCNTY, PubChem22144, PubChem23671, AGN-PC-00CKSH, ACMC-209h7y, KSC495M9N, Jsp002436, bromo(2-chlorophenyl)acetic acid, CTK3J5696, a-bromo-2-chlorophenylacetic acid, MolPort-001-759-826, (2-Chlorophenyl)bromoacetic acid;

Molecular Formula: C8H6BrClO2Molecular Weight: 249.489040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: XHAPROULWZYBGA-UHFFFAOYSA-N

• 4-Amino-2-Chloro-6,7-Dimethoxy Quinazoline
IUPAC Name: 2-chloro-6,7-dimethoxyquinazolin-4-amine | CAS Registry Number: 23680-84-4
Synonyms: 518654_ALDRICH, 4-Amino-2-chloro-6,7-dimethoxyquinazoline, ZINC02028665, ALBB-005949, CID90235, EINECS 245-821-7, SBB000787, 2-Chloro-6,7-dimethoxy-4-quinazolinamine, 2-Chloro-6,7-dimethoxyquinazolin-4-amine, 4-Quinazolinamine, 2-chloro-6,7-dimethoxy-, 2-chloro-6,7-dimethoxyquinazolin-4-ylamine, TL8001956, AN-829/25042011

Molecular Formula: C10H10ClN3O2Molecular Weight: 239.658300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: HWIIAAVGRHKSOJ-UHFFFAOYSA-N

• 1-Acetamido Adamantane
IUPAC Name: N-(1-adamantyl)acetamide | CAS Registry Number: 880-52-4
Synonyms: 1-Acetamidoadamantane, 1-Adamantylacetamide, N-(1-Adamantyl)acetamide, N-1-Adamantylacetamide, Acetamide, N-1-adamantyl-, 1-Acetamino adamantane, Ambap5974, Acetamide, N-(1-adamantyl)-, 137103_ALDRICH, EINECS 212-914-9, AIDS211778, NSC 527917, AIDS-211778, BRN 2098306, NSC527917, ZINC03860730, LS-8000, N-Tricyclo(3.3.1.13,7)dec-1-ylacetamide, Acetamide, N-tricyclo(3.3.1.13,7)dec-1-yl-, Acetamide, N-tricyclo[3.3.1.1]dec-1-yl-

Molecular Formula: C12H19NOMolecular Weight: 193.285360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: BCVXYGJCDZPKGV-UHFFFAOYSA-N

• 6-Methoxy-1-Tetralone
IUPAC Name: 6-methoxy-3,4-dihydro-2H-naphthalen-1-one | CAS Registry Number: 1078-19-9
Synonyms: 6-Methoxy-1-tetralone, 6-Methoxy-.alpha.-tetralone, 6-methoxytetralin-1-one, 6-Methoxy-alpha-tetralone, M25589_ALDRICH, 1(2H)-Naphthalenone, 3,4-dihydro-6-methoxy-, AIDS017978, AIDS-017978, NSC41700, EINECS 214-078-0, NSC 41700, SBB007549, ZINC03850328, 6-Methoxy-3,4-dihydro-1(2H)-naphthalenone, 3,4-Dihydro-6-methoxy-1(2H)-naphthalenone, 6-methoxy-3,4-dihydro-2H-naphthalen-1-one, 6-Methoxy-3,4-dihydro-2H-naphthalin-1-on, 6-methoxy-3,4-dihydronaphthalen-1(2H)-one, 6-Methoxy-1,2,3,4-tetrahydro-1-naphthalenone, 6-Methoxy-1,2,3,4-tetrahydronaphthalen-1-one

Molecular Formula: C11H12O2Molecular Weight: 176.211780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MNALUTYMBUBKNX-UHFFFAOYSA-N

• 2,4-Dichloro Phenyl Imidazole Ethanol
IUPAC Name: 1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol | CAS Registry Number: 24155-42-8
Synonyms: MLS000056514, EINECS 246-042-5, BRN 0617090, T 824, LS-78610, SMR000066401, alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol, ST5308226, TL8001987, R 14821, Imidazole-1-ethanol, alpha-(2,4-dichlorophenyl)-, 5-23-04-00319 (Beilstein Handbook Reference), Benzyl alcohol, 2,4-dichloro-alpha-(1-imidazolylmethyl)-, N-(beta-(2,4-Dichlorophenyl)-beta-hydroxyethyl)imidazole, 1H-Imidazole-1-ethanol, alpha-(2,4-dichlorophenyl)-, 1-(2,4-DICHLOROPHENYL)-1H-IMIDAZOLE-1-ETHANOL, 1H-Imidazole-1-ethanol, alpha-(2,4-dichlorophenyl)- (9CI)

Molecular Formula: C11H10Cl2N2OMolecular Weight: 257.115900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: UKVLTPAGJIYSGN-UHFFFAOYSA-N

• 2,6-Diaminopyridine
IUPAC Name: pyridine-2,6-diamine | CAS Registry Number: 141-86-6
Synonyms: 2,6-pyridinediamine, pyridine, 2,6-diamino-, pyridine-2,6-diamine, DAP (amine), pyridine-2,6-diyldiamine, WLN: T6NJ BZ FZ, CCRIS 6682, D24404_ALDRICH, NSC 1921, 33321_FLUKA, EINECS 205-507-2, CID8861, NSC1921, BRN 0108513, SBB004340, AI3-18054, D253, TL806197, LS-131134, 5-22-11-00255 (Beilstein Handbook Reference)

Molecular Formula: C5H7N3Molecular Weight: 109.129180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: VHNQIURBCCNWDN-UHFFFAOYSA-N

• 2-Bromopyridine
IUPAC Name: 2-bromopyridine | CAS Registry Number: 109-04-6
Synonyms: 2-BROMOPYRIDINE, o-Bromopyridine, Pyridine, 2-bromo-, 2-Pyridyl bromide, beta-Bromopyridine, alpha-Bromopyridine, .alpha.-Bromopyridine, .beta.-Bromopyridine, PYRIDINE,2-BROMO, WLN: T6NJ BE, B80100_ALDRICH, NSC 8031, CHEBI:51574, EINECS 203-641-6, NSC8031, AIDS020378, AIDS-020378, BRN 0105789, SBB003999, ZINC00158586

Molecular Formula: C5H4BrNMolecular Weight: 157.995960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: IMRWILPUOVGIMU-UHFFFAOYSA-N

• 3-Amino-2-Chloropyridine
IUPAC Name: 2-chloropyridin-3-amine | CAS Registry Number: 6298-19-7
Synonyms: 3-Amino-2-chloropyridine, 3-Pyridinamine, 2-chloro-, 2-Chloro-3-pyridinamine, 2-Chloro-3-pyridylamine, 2-Chloro-3-aminopyridine, A46900_ALDRICH, Pyridine, 2-chloro-3-amino-, Pyridine, 3-amino-2-chloro-, 07540_FLUKA, NSC45407, EINECS 228-572-9, SBB004233, ZINC00164466, A104, TL8004343, InChI=1/C5H5ClN2/c6-5-4(7)2-1-3-8-5/h1-3H,7H

Molecular Formula: C5H5ClN2Molecular Weight: 128.559600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: MEQBJJUWDCYIAB-UHFFFAOYSA-N

• 4-Chloropyridine Hydrochloride
IUPAC Name: 4-chloropyridine hydrochloride | CAS Registry Number: 7379-35-3
Synonyms: 4-CHLOROPYRIDINE, 4-Chloropyridine hydrochloride, 4-CHLOROPYRIDINE HCl, CCRIS 1716, C70223_ALDRICH, Pyridine, 4-chloro-, hydrochloride, 26300_FLUKA, EINECS 230-946-1, NSC 78418, NSC78418, C119, SL-00427, LS-188403

Molecular Formula: C5H5Cl2NMolecular Weight: 150.005900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: XGAFCCUNHIMIRV-UHFFFAOYSA-N


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