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Molekula Limited

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Contact: Kristan Banks
Web: http://www.molekula.com
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Address: Lingfield Way, Darlington, Durham DL1 4XX, United Kingdom
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Profile: Molekula Limited specializes in offering research chemicals and biochemicals. Our active pharmaceutical ingredients include acetyllovastatin, acetylsimvastatin, acyclovir and albendazole. Our fluorinated products are aluminum fluoride trihydrate, 4-aminobenzotrifluoride, 3-amino-5-bromobenzotrifluoride and aluminum trifluoromethanesulfonate. Our piperazines include N-carbethoxy piperazine, 1-cyclohexylpiperazine, 1-boc-piperazine and 1-benzylpiperazine.

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• 5-Nitroindazole
IUPAC Name: 5-nitro-1H-indazole | CAS Registry Number: 5401-94-5
Synonyms: 5-Nitro-1H-indazole, 1H-INDAZOLE, 5-NITRO-, CCRIS 4134, MLS000728712, 216755_ALDRICH, NSC 5032, 73409_FLUKA, EINECS 226-451-5, ZERO/005563, NSC5032, BRN 0007936, ZINC00156104, FS000340, LS-81534, SMR000306991, ST5406182, 5-23-06-00180 (Beilstein Handbook Reference), AQ-776/40649175, 5NI, InChI=1/C7H5N3O2/c11-10(12)6-1-2-7-5(3-6)4-8-9-7/h1-4H,(H,8,9

Molecular Formula: C7H5N3O2Molecular Weight: 163.133500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: WSGURAYTCUVDQL-UHFFFAOYSA-N

• 2-Trimethylammoniumethylmethacrylic Chloride
IUPAC Name: trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride | CAS Registry Number: 5039-78-1
Synonyms: Polyquaternium-37, 408107_ALDRICH, EINECS 225-733-5, (2-(Methacryloyloxy)ethyl)trimethylammonium chloride, 2-(methacryloyloxy)-N,N,N-trimethylethanaminium chloride, 2-(Trimethylammonio)ethyl methacrylate chloride, homopolymer, Chloride salt of trimethylammonioethyl methacrylate polymer, [2-(Methacryloyloxy)ethyl]trimethylammonium chloride solution, Ethanaminium, N,N,N-trimethyl-2-((2-methyl-1-oxo-2-propenyl)oxy)-, chloride, Ethanaminium, N,N,N-trimethyl-2-((2-methyl-1-oxo-2-propenyl)oxy)-, chloride, homopolymer, Ethanaminium, N,N,N-trimethyl-2-((methyl-1-oxo-2-propenyl)oxy)-, chloride , homopolymer, Ethanaminium, N,N,N-trimethyl-2-[(2-methyl-1-oxo-2-propenyl)oxy]-, chloride, N,N,N-Trimethyl-2-((methyl-1-oxo-2-propenyl)oxy)ethanaminium chloride, homopolymer, 114266-87-4, 115506-29-1, 161107-49-9, 26161-33-1, 33611-56-2, 34031-58-8, 57619-92-8

Molecular Formula: C9H18ClNO2Molecular Weight: 207.697720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: RRHXZLALVWBDKH-UHFFFAOYSA-M

• (R)-1,2,4-butanetriol
IUPAC Name: (2R)-butane-1,2,4-triol | CAS Registry Number: 70005-88-8
Synonyms: (R)-(+)-1,2,4-Butanetriol, (r)-butane-1,2,4-triol, (R)-1,2,4-Butanetriol, (2R)-butane-1,2,4-triol, (R)-(+)-1,2,4-Triydroxybutane, R-(-)-1,2,4-Butanetriol, AC1ODVG3, 309710_ALDRICH, CTK2H7000, MolPort-000-861-456, (r)-(+)-1,2,4-trihydroxybutane, ANW-46474, OR4602, ZINC01690069, AKOS016015974, (2R)-(+)-1,2,4-Trihydroxybutane, AG-G-73179, AC-13918, AK-86138, KB-02701

Molecular Formula: C4H10O3Molecular Weight: 106.120400 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: ARXKVVRQIIOZGF-SCSAIBSYSA-N

• 3-Bromocamphor
IUPAC Name: 3-bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one | CAS Registry Number: 76-29-9
Synonyms: Camphor bromide, (+)-3-Bromocamphor, 3-Bromo-d-camphor, 3-Bromo-2-bornanone, d-alpha-Bromocamphor, 3-Bromobornan-2-one, Camphor, 3-bromo-, d-.alpha.-Bromocamphor, Camphor, 3-bromo-, d-, 2-Bornanone, 3-bromo-, CAMPHOR, MONOBROMATED, Camphor, 3-bromo- (6CI), ARONIS005280, Camphor, 3-alpha-bromo-, (+)-, STOCK2S-11038, Camphor, monobromated [USP IX], EINECS 200-950-8, EINECS 233-652-1, ((1R)-endo)-(+)-3-Bromocamphor, NSC 26355

Molecular Formula: C10H15BrOMolecular Weight: 231.129500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: NJQADTYRAYFBJN-UHFFFAOYSA-N

• (+)-((Camphoryl)sulfonyl)oxaziridine
Synonyms: ZINC04202596

Molecular Formula: C10H15NO3SMolecular Weight: 229.296000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: GBBJBUGPGFNISJ-YDQXZVTASA-N

• (1R)-(+)-2,10-Camphorsultam
Synonyms: D-2,10-Camphorsultam, (-)-10,2-Camphorsultam, (2S)-Bornane-10,2-sultam, MLS000547527, CID145454, ZINC00404778, SMR000113261, 10,10-dimethyl-3-thia-4-azatricyclo[5.2.1.0~1,5~]decane3,3-dioxide, 4-Aza-5-thiatricyclo[5.2.1.0(3,7)]decane-5,5-dioxide, (7S)-10,10-dimethyl-

Molecular Formula: C10H17NO2SMolecular Weight: 215.312480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: DPJYJNYYDJOJNO-UHFFFAOYSA-N

• (R)-Piperazine-2-carboxylic acid dihydrochloride
IUPAC Name: (2R)-piperazine-2-carboxylic acid;dihydrochloride | CAS Registry Number: 126330-90-3
Synonyms: (R)-2-Piperazinecarboxylic acid dihydrochloride, (R)-Piperazine-2-carboxylic acid 2HCl, (R)-(+)-2-Piperazinecarboxylic acid dihydrochloride, (R)-(+)-Piperazine-2-carboxylic acid dihydrochloride, 2-(R)-Piperazine carboxylic acid 2HCl, (R)-piperazine-2-carboxylicaciddihydrochloride, SureCN283015, KSC496A5H, Jsp001680, 67176_FLUKA, CTK3J6053, MolPort-000-005-914, BH788, ACN-S002924, ACT02151, ANW-18926, FC0187, AKOS015845424, AC-1211, OR15637

Molecular Formula: C5H12Cl2N2O2Molecular Weight: 203.066980 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 4

InChIKey: WNSDZBQLMGKPQS-RZFWHQLPSA-N

• (-)-Actinonin
IUPAC Name: (2R)-N'-hydroxy-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-pentylbutanediamide | CAS Registry Number: 13434-13-4
Synonyms: actinonin, Actinonine, Spectrum2_000628, Spectrum3_000680, Spectrum4_001932, Spectrum5_000728, Lopac0_000010, BSPBio_002379, KBioGR_002305, DivK1c_001024, SPBio_000596, KBio1_001024, KBio3_001599, NINDS_001024, AIDS110792, C19H35N3O5, AIDS-110792, CID443600, CPD0-1358, IDI1_001024

Molecular Formula: C19H35N3O5Molecular Weight: 385.498300 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: XJLATMLVMSFZBN-VYDXJSESSA-N

• 2-Hydroxyimino-2-(2-pyridylsulfonyl)acetonitrile
IUPAC Name: 2-hydroxyimino-2-pyridin-2-ylsulfonylacetonitrile | CAS Registry Number: 175137-69-6
Synonyms: 2-hydroxyimino-2-(2-pyridylsulfonyl)acetonitrile, AC1MCTD4, Maybridge1_004626, CTK4D5365, AG-E-25004, KB-68861, 2-hydroxyimino-2-(2-pyridinylsulfonyl)acetonitrile, 2-hydroxyimino-2-(2-pyridylsulphonyl)acetonitrile, 2-hydroxyimino-2-pyridin-2-ylsulfonylacetonitrile, A811801, 2-hydroxyimino-2-pyridin-2-ylsulfonyl-ethanenitrile, 2-HYDROXYIMINO-2-(PYRIDIN-2-YLSULFONYL)ACETONITRILE

Molecular Formula: C7H5N3O3SMolecular Weight: 211.197900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: YGMWCSZEJYENBM-UHFFFAOYSA-N

• (1S,2S)-Cyclohexane-1,2-diamine
IUPAC Name: cyclohexane-1,2-diamine | CAS Registry Number: 21436-03-3
Synonyms: 1,2-Cyclohexanediamine, 1,2-Cylohexanediamine, cis-1,2-Cyclohexanediamine, 1,2-DIAMINOCYCLOHEXANE, cis-1,2-Cyclohexandiamine, Cyclohex-1,2-ylenediamine, trans-1,2-Cyclohexanediamine, cyclohexane-1,2-diamine, trans-1,2-Cyclohexaneiamine, HSDB 5748, 132551_ALDRICH, 293962_ALDRICH, (+)-S,S-1,2-Diaminocyclohexane, EINECS 211-776-7, CID4610, (1S,2S)-(+)-1,2-Diaminocyclohexane, (-)-R,R-1,2-Diaminocyclohexane, BRN 0506142, NSC362640, NSC362641

Molecular Formula: C6H14N2Molecular Weight: 114.188760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: SSJXIUAHEKJCMH-UHFFFAOYSA-N

• (R)-(+)-alpha, alpha-Diphenyl-2-pyrrolidinemethanol
IUPAC Name: di(phenyl)-[(2R)-pyrrolidin-1-ium-2-yl]methanol | CAS Registry Number: 22348-32-9
Synonyms: ZINC03632771

Molecular Formula: C17H20NO+Molecular Weight: 254.346800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: OGCGXUGBDJGFFY-MRXNPFEDSA-O

• (R)-(-)-1,1'-Bi(2-naphthol),[(R)-BINOL]
IUPAC Name: 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol | CAS Registry Number: 18531-94-7
Synonyms: 1,1'-Bi-2-naphthol, (S)-(-)-1,1'-Bi-2-naphthol, 18531-99-2, 602-09-5, 2,2'-Dinaphthol, binol, (R)-(+)-1,1'-Bi-2-naphthol, beta-Binaphthol, 1,1'-Binaphthyl-2,2'-diol, (S)-BINOL, (R)-1,1'-Bi-2-naphthol, 1,1'-Bis-2-naphthol, 2,2'-Dihydroxydinaphthyl, Chiral binaphthol, 2,2'-Dihydroxy-1,1'-binaphthyl, 2,2'-Dihydroxy-1,1'-dinaphthyl, Bis-beta-naphthol, 2,2'-Dihydroxybinaphthalene, s-(-)-1,1'-bi-2-naphthol, [1,1'-Binaphthalene]-2,2'-diol

Molecular Formula: C20H14O2Molecular Weight: 286.323960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: PPTXVXKCQZKFBN-UHFFFAOYSA-N

• (S)-(-)-1,1'-Bi(2-naphthyl)-2,2-diyl hydrogen phosphate [(S)-BNP Acid]
Synonyms: 1,1'-Binaphthyl-2,2'-diyl hydrogenphosphate, 35193-63-6, 39648-67-4, (R)-(-)-1,1'-Binaphthyl-2,2'-diyl hydrogenphosphate, (S)-(+)-1,1'-Binaphthyl-2,2'-diyl hydrogenphosphate, (R)-(-)-1,1'-Binaphthyl-2,2'-diyl hydrogen phosphate, SBB058107, (R)-(-)-2,2'-Dihydroxy-1,1'-binaphthyl Hydrogen Phosphate, (S)-(+)-2,2'-Dihydroxy-1,1'-binaphthyl Hydrogen Phosphate, dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-ol 4-oxide, (+/-)-1,1'-Binaphthyl-2,2'-diyl Hydrogenphosphate, (+/-)-2,2'-Dihydroxy-1,1'-binaphthyl Hydrogenphosphate, (R)-(-)-1,1'-Binaphthalene-2,2'-diyl hydrogen phosphate, (S)-(+)-1,1'-Binaphthalene-2,2'-diyl hydrogen phosphate, (R)-4-Hydroxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-oxide, (S)-4-Hydroxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-oxide, 248932_ALDRICH, 4-hydroxynaphtho[1,2-f]naphtho[2,1-d]1,3,2-dioxaphosphepin-4-one, BNDHP, BNPA

Molecular Formula: C20H13O4PMolecular Weight: 348.288582 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: JEHUZVBIUCAMRZ-UHFFFAOYSA-N

• (S)-(+)-2,2-Bis(diphenylphosphino)-1,1-binaphthyl [(S)-BINAP]
IUPAC Name: [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane | CAS Registry Number: 76189-56-5
Synonyms: 76189-55-4, (R)-(+)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl, 98327-87-8, 2,2'-BIS(DIPHENYLPHOSPHINO)-1,1'-BINAPHTHYL, (R)-(+)-BINAP, (S)-(-)-BINAP, (+/-)-BINAP, rac-BINAP, BINAP, (S)-(-)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl, (+/-)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl, (S)-BINAP, (R)-2,2'-bis(Diphenylphosphino)-1,1'-binaphthyl, (S)-(+)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl, (S)-(-)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthalene, (S)-(-)-2,2'-Bis(diphenylphosphosino)-1,1'-binaphthyl, 2,2'-Bis(diphenylphosphino)-1,1'-binaphthalene, 2,2'-Bis-diphenylphosphanyl-[1,1']binaphthalenyl, (+/-)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthalene, (R)-(+)-2,2'-Bis(diphenylphosphino)-1'1-binaphthyl

Molecular Formula: C44H32P2Molecular Weight: 622.672404 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: MUALRAIOVNYAIW-UHFFFAOYSA-N

• (Bromomethyl)triphenylphosphonium Bromide
IUPAC Name: bromomethyl-tri(phenyl)phosphanium | CAS Registry Number: 1034-49-7
Synonyms: EINECS 213-857-2, (Bromomethyl)triphenylphosphonium bromide

Molecular Formula: C19H17BrP+Molecular Weight: 356.216041 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: FKDAUYUOARWXGL-UHFFFAOYSA-N

• (4R,6R)-t-Butyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate
IUPAC Name: tert-butyl 2-[(4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate | CAS Registry Number: 125971-94-0
Synonyms: 539015_ALDRICH, ZINC04284040, ST5405960, TL8000705, tert-Butyl (4R,3R)-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate, (4R,Cis)-1,1-dimethylethyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate

Molecular Formula: C14H23NO4Molecular Weight: 269.336720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: DPNRMEJBKMQHMC-GHMZBOCLSA-N

• (+/-)-Anabasine
IUPAC Name: 3-piperidin-2-ylpyridine | CAS Registry Number: 13078-04-1
Synonyms: Anabasine, Neonicotine, Neonikotin, Anabasin, Anabazin, DL-Anabasine, (+-)-Anabasine, S-(-)-Anabasine, ()-Anabasine, Caswell No. 051, 3-(2-Piperidinyl)pyridine, Piperidine, 2-(3-pyridyl)-, Spectrum_000023, SpecPlus_000616, L-3-(2'-Piperidyl)pyridine, Prestwick0_000669, Prestwick1_000669, Prestwick2_000669, Spectrum2_001792, Spectrum3_001356

Molecular Formula: C10H14N2Molecular Weight: 162.231560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: MTXSIJUGVMTTMU-UHFFFAOYSA-N

• (S)-(-)-beta-Methylphenethylamine
IUPAC Name: (2S)-2-phenylpropan-1-amine | CAS Registry Number: 17596-79-1
Synonyms: (2S)-2-phenylpropan-1-amine, (S)-2-Phenyl-1-propylamine, (S)-2-Phenylpropan-1-amine, (S)-(-)-2-Phenyl-1-propylamine, (S)-beta-Methylphenethylamine, S(-)--methylphenethylamine, PubChem21084, (S)-b-methylphenethylamine, S-beta-Methylphenethylamine, SureCN240503, AC1LU62I, KSC496A9J, S(-)-|A-methylphenethylamine, (2S)-2-phenyl-1-propanamine, 461393_ALDRICH, CHEMBL448232, (S)-2-PHENYLPROPYLAMINE, CTK3J6094, S(-)-METHYLPHENETHYLAMINE, CHEBI:589882

Molecular Formula: C9H13NMolecular Weight: 135.206220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: AXORVIZLPOGIRG-MRVPVSSYSA-N

• (R)-(+)-2-Methyl-2-propanesulfinamide
IUPAC Name: 2-methylpropane-2-sulfinamide | CAS Registry Number: 196929-78-9
Synonyms: (R)-(+)-t-Butylsulfinamide, (R)-(+)-tert-Butylsulfinamide, (r)-(+)-tert-butyl sulphinamide, (r)-2-methyl-2-propanesulfinamide, SBB056498, (r)-(+)-2-methyl-propane-2-sulfinic acid amide, (r)-2-methylpropane-2-sulfinamide, (R)-tert-Butanesulfinamide, PubChem6058, r-tert-butanesulfinamide, r-(+)tert-butansulfinamide, r-(+)-tert-butylsulfinamide, KSC174O3L, (r)-(+)-t-butanesulfinamide, (r)-(+)tert-butanesulfinamide, 497401_ALDRICH, (r)-(+)-tert-butanesulfinamide, CTK0H4735, (R)-(+)-tert-Butyl sulfinamide, MolPort-002-461-779

Molecular Formula: C4H11NOSMolecular Weight: 121.201240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CESUXLKAADQNTB-SSDOTTSWSA-N

• (S)-(-)-3-Amino-1,2-propanediol
IUPAC Name: (2S)-3-aminopropane-1,2-diol;hydrochloride | CAS Registry Number: 209849-99-0
Synonyms: (S)-3-AMINO-1,2-DIHYDROXYPROPANE HYDROCHLORIDE, HT1200, AKOS007929938, (S)-(-)-3-Amino-1,2-propandiol HCl, KB-05304, 209849-99-0 (S)-3-Amino-1,2-dihydroxypropane hydrochloride

Molecular Formula: C3H10ClNO2Molecular Weight: 127.570000 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 3

InChIKey: KQEBGRLRYABJRL-DFWYDOINSA-N

• (1S,2R)-2-Amino-1,2-diphenylethanol
IUPAC Name: [(1R,2S)-2-hydroxy-1,2-di(phenyl)ethyl]azanium | CAS Registry Number: 23364-44-5
Synonyms: ZINC00120672

Molecular Formula: C14H16NO+Molecular Weight: 214.282940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: GEJJWYZZKKKSEV-KGLIPLIRSA-O

• (R)-Piperidine-3-carboxylic acid
IUPAC Name: (3R)-piperidine-3-carboxylic acid | CAS Registry Number: 25137-00-2
Synonyms: (R)-(-)-Nipecotic acid, (R)-piperidine-3-carboxylic acid, D(-)-Nipecotic acid, (R)-(-)-3-Piperidinecarboxylic acid, (-)-nipecotic acid, CHEBI:221278, (-)-d-nipecotic acid, r-(-)-3-piperidinecarboxylic acid, (3R)-piperidine-3-carboxylic acid, (R)-nipecotic acid, (3R)-(-)-piperidine-3-carboxylic acid, (r)-3-piperidinecarboxylic acid, (S)-nipecotic acid, AG-E-76124, (R)-(-)-piperidine-3-carboxylic acid, (3r)-(-)-piperidin-3-ylcarboxylic acid, D-piperidine-3-carboxylic acid, (R)-(-)-Nipecoticacid, h-d-nipc(3)-oh, (3R)-nipecotic acid

Molecular Formula: C6H11NO2Molecular Weight: 129.157040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: XJLSEXAGTJCILF-RXMQYKEDSA-N

• (R)-3-Hydroxypyrrolidine
IUPAC Name: (3R)-pyrrolidin-1-ium-3-ol | CAS Registry Number: 2799-21-5
Synonyms: ZINC02140994, CID6992365

Molecular Formula: C4H10NO+Molecular Weight: 88.128300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: JHHZLHWJQPUNKB-SCSAIBSYSA-O

• (S)-Glycidyl tosylate
IUPAC Name: [(2S)-oxiran-2-yl]methyl 4-methylbenzenesulfonate | CAS Registry Number: 70987-78-9
Synonyms: Glycidyl tosylate, (+)-Glycidyl tosylate, (2S)-(+)-Glycidyl tosylate, CCRIS 6400, (2S)-()-Glycidyl tosylate, 540129_ALDRICH, (S)-()-Glycidyl p-toluenesulfonate, BRN 3592143, CID153296, NSC636971, ZINC01624985, NCI60_012248, LS-101059, Oxiranemethanol, 4-methylbenzenesulfonate, (S)-, ST5319392, TL8004999, (S)-()-Oxirane-2-methanol p-toluenesulfonate, 5-17-03-00047 (Beilstein Handbook Reference)

Molecular Formula: C10H12O4SMolecular Weight: 228.264880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: NOQXXYIGRPAZJC-VIFPVBQESA-N

• (Hexafluoro-2-hydroxyisopropyl)benzene
IUPAC Name: 1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol | CAS Registry Number: 718-64-9
Synonyms: Hexafluoro-2-phenyl isopropanol, 107565_ALDRICH, Hexafluoro-2-phenyl-2-propanol, Bis(trifluoromethyl)phenylcarbinol, NSC96337, EINECS 211-943-4, ZINC00157910, 1,1,1,3,3,3-Hexafluoro-2-phenyl-2-propanol, 2,2,2,2',2',2'-Hexafluorocumyl alcohol, alpha,alpha-Bis(trifluoromethyl)benzyl alcohol, TL8005033, Benzenemethanol, alpha,alpha-bis(trifluoromethyl)-, Benzyl alcohol, .alpha.,.alpha.-bis(trifluoromethyl)-, Benzenemethanol, .alpha.,.alpha.-bis(trifluoromethyl)-

Molecular Formula: C9H6F6OMolecular Weight: 244.133759 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: IZPIZCAYJQCTNG-UHFFFAOYSA-N

• 5-(Trifluoromethyl)pyrid-2-yl hydrazine
IUPAC Name: [5-(trifluoromethyl)pyridin-2-yl]hydrazine | CAS Registry Number: 89570-85-4
Synonyms: Bionet2_000686, ZINC01390093, ST5137936

Molecular Formula: C6H6F3N3Molecular Weight: 177.127150 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: PDRJYGJBOYHPJC-UHFFFAOYSA-N

• (-)corey Lactone 4-phenylbenzoate
IUPAC Name: [(3aR,4S,5R,6aS)-4-(hydroxymethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate | CAS Registry Number: 31752-99-5
Synonyms: (-)-Corey lactone, nchembio.128-comp29b, TimTec1_004986, 249262_ALDRICH, ZINC04261895, TL8002426, (−)-Corey lactone 5-(4-phenylbenzoate, (−)-Corey lactone, 4-phenylbenzoate alcohol, (3aR,4S,5R,6aS)-Hexahydro-4-hydroxymethyl-5-(4-phenylbenzoyloxy)cyclopenta[b]furan-2-one, (3aalpha,4alpha,5beta,6aalpha)-(−)-Hexahydro-4-(hydroxymethyl)-2-oxo-2H-cyclopenta[b]furan-5-yl 1,1'-biphenyl-4-carboxylate, (3aR,4S,5R,6aS)-[1,1'-Biphenyl]-4-carboxylic acid, hexahydro-4-(methoxymethyl)-2-oxo-2H-cyclopentafuran-5-yl ester

Molecular Formula: C21H20O5Molecular Weight: 352.380500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: SZJVIFMPKWMGSX-AKHDSKFASA-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

• (R)-1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid
IUPAC Name: (3R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid | CAS Registry Number: 103733-65-9
Synonyms: (r)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylicacid, (3R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, 1,2,3,4-D-tetrahydroisoquinoline-3-carboxylic acid, D-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid, (R)-(+)-1,2,3,4-Tetrahydroisoquinoline-3-Carboxylic Acid, AC1LEHRS, SureCN288260, (R)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid, AC1Q5QX4, KSC174K4J, 87433_ALDRICH, Jsp000377, 87433_FLUKA, CTK0H4544, MolPort-001-758-754, BB_NC-1451, KST-1A8052, ANW-43631, AR-1A7804, AKOS010367109

Molecular Formula: C10H11NO2Molecular Weight: 177.199840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: BWKMGYQJPOAASG-SECBINFHSA-N

• 3-Aminophenylacetic acid
IUPAC Name: 2-(3-aminophenyl)acetic acid | CAS Registry Number: 14338-36-4
Synonyms: (3-aminophenyl)acetic acid, 2-(3-aminophenyl)acetic acid, Benzeneacetic acid, 3-amino-, SBB068772, PubChem1961, ACMC-1BOVT, AC1Q5VHW, 3-(Carboxymethyl)aniline, 3-Aminobenzeneacetic acid, SureCN166538, AC1LC96B, AC1Q51LG, 335444_ALDRICH, CTK0I2100, MolPort-001-768-526, KST-1A1414, ACN-S002929, ACT09029, ANW-20775, AR-1A3912

Molecular Formula: C8H9NO2Molecular Weight: 151.162560 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: XUSKZLBLGHBCLD-UHFFFAOYSA-N

• (R)-3-Hydroxybutanoate
IUPAC Name: (3R)-3-hydroxybutanoic acid | CAS Registry Number: 625-72-9
Synonyms: (R)-3-Hydroxybutyric acid, (R)-3-Hydroxybutanoic acid, 3R-hydroxy-butanoic acid, (-)-3-Hydroxybutyric acid, (R)-beta-Hydroxybutyric acid, MLS001333960, (3R)-3-hydroxybutanoic acid, (R)-beta-Hydroxybutanoic acid, (-)-beta-Hydroxybutyrate, D-, (-)-3-Hydroxy-n-butyric acid, 54920_FLUKA, CHEBI:17066, CPD-335, (R)-(-)-3-Hydroxybutyric acid, (R)-(-)-beta-Hydroxybutyric acid, Butanoic acid, 3-hydroxy-, (R)-, EINECS 210-909-6, LMFA01050243, Butyric acid, 3-hydroxy-, D-(-)-, SMR000857294

Molecular Formula: C4H8O3Molecular Weight: 104.104520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: WHBMMWSBFZVSSR-GSVOUGTGSA-N

• (1R,2R)-(-)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol
IUPAC Name: (1R,2R)-2-amino-1-(4-nitrophenyl)propane-1,3-diol | CAS Registry Number: 716-61-0
Synonyms: Levoamine, Chloramphenicol base, A70704_ALDRICH, EINECS 211-938-7, LS-120138, TL8005023, D-(-)Threo-2-amino-1-(p-nitrophenyl)propane-1,3-diol, D-threo-(-)-2-Amino-1-(p-nitrophenyl)-1,3-propanediol, 1,3-Propanediol, 2-amino-1-(p-nitrophenyl)-, D-threo-(-)-, (1R,2R)-(−)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol, D-(−)-threo-2-Amino-1-(p-nitrophenyl)-1,3-propanediol

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

InChIKey: OCYJXSUPZMNXEN-RKDXNWHRSA-N

• (+)-Usnic acid
IUPAC Name: (9bS)-2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3-dione | CAS Registry Number: 7562-61-0
Synonyms: Usninic acid, d-Usnic acid, Usnic acid, (-)-, NSC5890, AIDS028613, D-USNIC ACID (+490), AIDS-028613, NSC 5889, EINECS 228-181-3, NSC149788, 1,3(2H,9bH)-Dibenzofurandione, 2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-, (9bS)-, (9bS)-2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-(2H,9bH)-dibenzofuran-1,3-dione, 6159-66-6

Molecular Formula: C18H16O7Molecular Weight: 344.315440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: CUCUKLJLRRAKFN-KKIBXBACSA-N

• (S)-2-Amino-1,2-diphenyl-1-propanol
IUPAC Name: (2S)-2-amino-1,1-diphenylpropan-1-ol | CAS Registry Number: 78603-91-5
Synonyms: (S)-(-)-2-Amino-1,1-diphenyl-1-propanol, (S)-2-amino-1,1-diphenylpropan-1-ol, 1,1-Diphenyl-L-alaninol, (S)-2-Amino-1,1-diphenyl-1-propanol, (S)-(?)-2-Amino-1,1-diphenyl-1-propanol, (2S)-2-amino-1,1-diphenylpropan-1-ol, PubChem6392, AC1LE85M, SureCN2034432, 549479_ALDRICH, 07950_FLUKA, CTK2H6989, MolPort-003-925-592, ACT10328, ANW-46084, AK-44765, BP-12314, KB-03886, FT-0082957, FT-0604662

Molecular Formula: C15H17NOMolecular Weight: 227.301580 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: FMBMNSFOFOAIMZ-LBPRGKRZSA-N

• (R)-4-Isopropyl-3-propionyl-2-oxazolidinone
IUPAC Name: (4R)-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one | CAS Registry Number: 89028-40-0
Synonyms: (R)-(-)-4-Isopropyl-3-propionyl-2-oxazolidinone, (R)-4-Isopropyl-3-propionyloxazolidin-2-one, (R)-(-)-3-Propionyl-4-isopropyl-2-oxazolidinone, PubChem8177, AC1LD7EA, SureCN3629926, CTK5G2459, MolPort-003-983-994, ANW-39207, TD8067, ZINC00389576, AKOS006346214, AKOS015839610, AG-A-07463, AG-H-60653, AK-86879, KB-210195, FT-0642110, I0594, ST51054094

Molecular Formula: C9H15NO3Molecular Weight: 185.220300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: HOWPHXVPNNPSAZ-ZETCQYMHSA-N

• (bromoacetyl) Pentafluorbenzene
IUPAC Name: 2-bromo-1-(2,3,4,5,6-pentafluorophenyl)ethanone | CAS Registry Number: 5122-16-7
Synonyms: ZINC02566359, CID2775963

Molecular Formula: C8H2BrF5OMolecular Weight: 288.996896 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: CIYHGZNFDGHGDK-UHFFFAOYSA-N

• (R)-2-Aminohexane
IUPAC Name: (2R)-hexan-2-amine | CAS Registry Number: 70095-40-8
Synonyms: (R)-2-Hexylamine, (2R)-hexan-2-amine, PubChem6753, (2R)-2-hexanamine, AC1ODTPE, 2-Hexanamine, (2R)-, 30192_ALDRICH, 30192_FLUKA, CTK2H7012, AG-G-73614, KB-02836, A836770, I14-4176

Molecular Formula: C6H15NMolecular Weight: 101.190000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: WGBBUURBHXLGFM-ZCFIWIBFSA-N

• (S)-(-)-1,2,3,4-Tetrahedro-naphthoic acid
IUPAC Name: (1S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid | CAS Registry Number: 85977-52-2
Synonyms: (S)-1,2,3,4-tetrahydro-1-naphthoic acid, (S)-1,2,3,4-tetrahydro-naphthoic acid, PubChem11869, SureCN2796237, CTK3E8704, MolPort-003-987-318, ANW-46646, OR4201, AKOS015833089, AC-6928, AG-H-46849, BD22877, AK-48549, KB-63344, TL8005600, FT-0642021, (1S)-1,2,3,4-Tetrahydro-1-naphthoic acid, (S)-(-)-1,2,3,4-Tetrahydro-naphthoic acid, (1S)-1-Carboxy-1,2,3,4-tetrahydronaphthalene, (1S)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

Molecular Formula: C11H12O2Molecular Weight: 176.211780 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: VDLWTJCSPSUGOA-JTQLQIEISA-N

• (1,3-Dioxolan-2-ylmethyl)triphenylphosphonium bromide
IUPAC Name: 1,3-dioxolan-2-ylmethyl(triphenyl)phosphanium bromide | CAS Registry Number: 52509-14-5
Synonyms: 223859_ALDRICH, EINECS 257-977-3, ST5406476

Molecular Formula: C22H22BrO2PMolecular Weight: 429.286641 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: FRHRVQQUICVJDG-UHFFFAOYSA-M

• (chloromethylene)dimethyliminium Chloride
IUPAC Name: chloromethylidene(dimethyl)azanium | CAS Registry Number: 3724-43-4
Synonyms: ZINC02539429, CID77312

Molecular Formula: C3H7ClN+Molecular Weight: 92.547380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: RXFZQWIYCJKAMJ-UHFFFAOYSA-N

• (-)-Epigallocatechin
IUPAC Name: (2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol | CAS Registry Number: 970-74-1
Synonyms: Epigallocatechin, Epigallocatechol, L-Epigallocatechin, Gallocatechin, Gallocatechol, epi-Gallocatechin, l-Epigallocatechol, Antiscurvy factor C2, (-)-Epigallocatechol, Factor C2 (antiscurvy), nchembio.246-comp3, Spectrum_000806, SpecPlus_000269, Spectrum2_000703, Spectrum3_000248, Spectrum4_000950, Spectrum5_000889, 2,3-cis-epigallocatechin, Antiscurvy factor C(sub 2), CCRIS 5441

Molecular Formula: C15H14O7Molecular Weight: 306.267460 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 7

InChIKey: XMOCLSLCDHWDHP-IUODEOHRSA-N

• (Chloromethyl)dimethylethylsilane
IUPAC Name: chloromethyl-ethyl-dimethylsilane | CAS Registry Number: 3121-77-5
Synonyms: NSC96782, CID262824

Molecular Formula: C5H13ClSiMolecular Weight: 136.695220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: BCZCLPJVTSRZLR-UHFFFAOYSA-N

• (+/-)-Alpha-Amino-3-Hydroxy-5-Methylisoxazole-4-Propionic Acid Hydrobromide
IUPAC Name: 2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid hydrobromide | CAS Registry Number: 118896-96-1
Synonyms: ampa, (?)-AMPA hydrobromide, OR1155T, CID11957558, EU-0100581, NCGC00093962-01, (+/-)-alpha-AMINO-3-HYDROXY-5-METHYL-ISOXAZOLE-4-PROPIONIC ACID

Molecular Formula: C7H11BrN2O4Molecular Weight: 267.077240 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: KUAHVIUZGLGASU-UHFFFAOYSA-N

• 2-(4-Bromophenyl)-2-Oxoethyl Acetate
IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] acetate | CAS Registry Number: 7500-37-0
Synonyms: 4-Bromophenacyl acetate, Maybridge1_000103, MixCom1_000191, CBDivE_001746, 2-(4-Bromophenyl)-2-oxoethyl acetate, CID343879, NSC400447, ZINC00128874, TL00561

Molecular Formula: C10H9BrO3Molecular Weight: 257.080660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: DYDDLQHJYMWTMU-UHFFFAOYSA-N

• (S)-1,2,4-butanetriol
IUPAC Name: (2S)-butane-1,2,4-triol | CAS Registry Number: 42890-76-6
Synonyms: (S)-(-)-1,2,4-Butanetriol, (S)-Butane-1,2,4-triol, (2S)-butane-1,2,4-triol, (S)-1,2,4-Butanetriol, (S)-(-)-1,2,4-Trihydroxybutane, AC1LD1XW, 296678_ALDRICH, 19045_FLUKA, CTK8B4481, MolPort-000-861-457, (S)--(+)-1,2,4-Butanetriol, ANW-45240, OR5242, ZINC03860246, AKOS015901225, (2S)-(-)-1,2,4-Trihydroxybutane, AC-13895, AK-88488, KB-63577, U620

Molecular Formula: C4H10O3Molecular Weight: 106.120400 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: ARXKVVRQIIOZGF-BYPYZUCNSA-N

• 4-Aminobenzhydrazide
IUPAC Name: 4-aminobenzohydrazide | CAS Registry Number: 5351-17-7
Synonyms: Amben hydrazide, Aminostimil, p-Aminobenzhydrazide, p-Aminobenzoyl hydrazide, 4-Aminobenzoylhydrazine, 4-Aminobenzohydrazide, p-Aminobenzoic hydrazide, p-Aminobenzoylhydrazine, para-Aminobenzhydrazide, p-Aminobenzoic acid hydrazide, 4NPhCON2, 4-Aminobenzoic acid hydrazide, 4-Aminobenzoic hydrazide, WLN: ZNUYQR DZ, Myeloperoxidase Inhibitor-I, Benzoic acid, 4-amino-, hydrazide, A41909_ALDRICH, C7H9N3O, BENZOIC ACID, p-AMINO-, HYDRAZIDE, NSC 640

Molecular Formula: C7H9N3OMolecular Weight: 151.165860 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: WPBZMCGPFHZRHJ-UHFFFAOYSA-N

• 2-Amino thioanisole
IUPAC Name: 2-methylsulfanylaniline | CAS Registry Number: 2987-53-3
Synonyms: 2-(Methylthio)aniline, 2-Aminothioanisole, 2-Methylmercaptoaniline, o-AMINOTHIOANISOLE, 2-(Methylmercapto)aniline, 2-(Methylsulfanyl)aniline, M54201_ALDRICH, EINECS 221-055-9, NSC41588, NSC62853, ZINC00391221, LS-28391

Molecular Formula: C7H9NSMolecular Weight: 139.218060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: WBRPQQSADOCKCH-UHFFFAOYSA-N

• (S)-4-Benzyl-3-propionyl-2-oxazolidinone
IUPAC Name: (4S)-4-(phenylmethyl)-3-propanoyl-1,3-oxazolidin-2-one | CAS Registry Number: 101711-78-8
Synonyms: 458775_ALDRICH, ZINC00403113, CID2733696, ST5405910, TL8000098, (S)-()-4-Benzyl-3-propionyl-2-oxazolidinone, (4S)-(+)-4-Benzyl-3-propionyl-2-oxazolidinone

Molecular Formula: C13H15NO3Molecular Weight: 233.263100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: WHOBYFHKONUTMW-NSHDSACASA-N

• (4-Aminophenylthio)acetic acid
IUPAC Name: 2-(4-aminophenyl)sulfanylacetic acid | CAS Registry Number: 104-18-7
Synonyms: p-Aminophenylthioacetic acid, p-Aminothiophenoxyacetic acid, 2-(4-Aminophenylthio)acetic acid, p-Aminophenylmercaptoacetic acid, 50281_FLUKA, [(p-Aminophenyl)thio]acetic acid, NSC43555, S-(4-Aminophenyl)thioglycolic acid, EINECS 203-182-1, Acetic acid, [(p-aminophenyl)thio]-, Acetic acid, ((4-aminophenyl)thio)-, Acetic acid, [(4-aminophenyl)thio]-, AI3-26085, ST5407082

Molecular Formula: C8H9NO2SMolecular Weight: 183.227560 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: CTPIHHXCACYCIV-UHFFFAOYSA-N

• (1R,2S)-1-Amino-2-indanol
IUPAC Name: [(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]azanium | CAS Registry Number: 136030-00-7
Synonyms: ZINC00154815, CID11859592

Molecular Formula: C9H12NO+Molecular Weight: 150.197680 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: LOPKSXMQWBYUOI-DTWKUNHWSA-O


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