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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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• (S)-(+)-P-Toluenesulfinamide
IUPAC Name: 4-methylbenzenesulfinamide | CAS Registry Number: 188447-91-8
Synonyms: (S)-(+)-p-Toluenesulfinamide, (S)-4-methylbenzenesulfinamide, PubChem9914, (S)-p-toluenesulfinamide, SureCN1645074, (S)-4-Methylbezenesulfinamide, CTK8B7507, (S)-4-TOLUENESULFINAMIDE, MolPort-003-984-024, ANW-57504, SBB070057, ZINC32179039, AKOS015897534, (S)-4-Methyl-benzenesulfinic acid amide, AK-81446, KB-05656, FT-0657477, 79549-EP2305695A2, 79549-EP2305696A2, 79549-EP2305697A2

Molecular Formula: C7H9NOSMolecular Weight: 155.217460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YNJDSRPIGAUCEE-JTQLQIEISA-N

• (2-Methoxy-Pyridin-4-Yl)-Carbamic Acid Tert-Butyl Ester
IUPAC Name: tert-butyl N-(2-methoxypyridin-4-yl)carbamate | CAS Registry Number: 849353-31-7
Synonyms: ZINC04352713

Molecular Formula: C11H16N2O3Molecular Weight: 224.256340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: WEUYGTAUMMZAFC-UHFFFAOYSA-N

• (+/-)-Jasmonic Acid
IUPAC Name: 2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid | CAS Registry Number: 77026-92-7
Synonyms: (+/-)-Jasmonic acid, 3-(Carboxymethyl)-2-(2-pentenyl)cyclopentanone, SureCN4360733, Ambap3572-66-5, CHEMBL445499, FT-0634910, J0004

Molecular Formula: C12H18O3Molecular Weight: 210.269520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ZNJFBWYDHIGLCU-ARJAWSKDSA-N

• (4-Fluorophenylthio)Acetic Acid
IUPAC Name: 2-(4-fluorophenyl)sulfanylacetate | CAS Registry Number: 332-51-4
Synonyms: ZINC00156142, CID4115535

Molecular Formula: C8H6FO2S-Molecular Weight: 185.195443 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: HQEROVXUKINLPI-UHFFFAOYSA-M

• (R)-(-)-2-Hexanol
IUPAC Name: hexan-2-ol | CAS Registry Number: 26549-24-6
Synonyms: 2-HEXANOL, sec-Hexyl alcohol, 2-Hydroxyhexane, sec-Hexanol, Methylamyl alcohol, hexan-2-ol, Methyl-1-pentanol, Pentanol, methyl-, 2-Hexanol, (R)-, 2-Hexanol, (S)-, Methyl amyl alcohol, n-Butylmethylcarbinol, Butyl methyl carbinol, (RS)-2-hexanol, 1-Pentanol, methyl-, n-C4H9CH(OH)CH3, (S)-(+)-2-Hexanol, (+/-)-2-Hexanol, W513601_ALDRICH, 128570_ALDRICH

Molecular Formula: C6H14OMolecular Weight: 102.174760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: QNVRIHYSUZMSGM-UHFFFAOYSA-N

• (S)-(+)-1-Methyl-3-Phenylpropylamine
IUPAC Name: (2S)-4-phenylbutan-2-amine | CAS Registry Number: 4187-57-9
Synonyms: AG-F-48804, (S)-(+)-1-METHYL-3-PHENYLPROPYLAMINE, AC1ODW2I, SureCN894528, (2S)-4-phenylbutan-2-amine, CTK4I5321, AKOS006339861, Benzenepropanamine, a-methyl-, (aS)-, KB-63370, FT-0605241, I14-101125, (S)-a-Methylbenzenepropanamine;(S)-1-Methyl-3-phenylpropylamine;(S)-2-Amino-4-phenylbutane;(S)-4-Phenyl-2-aminobutane;Benzenepropanamine,a-methyl-, (S)-;Propylamine,1-methyl-3-phenyl-, (+)- (8CI);(+)-1-Methyl-3-phenylpropylamine;

Molecular Formula: C10H15NMolecular Weight: 149.232800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: WECUIGDEWBNQJJ-VIFPVBQESA-N

• (3S,4S)-(+)-1-Benzyl-3,4-Pyrrolidinediol
IUPAC Name: (3S,4S)-1-benzylpyrrolidin-1-ium-3,4-diol | CAS Registry Number: 90365-74-5
Synonyms: ZINC02572368, CID7021492

Molecular Formula: C11H16NO2+Molecular Weight: 194.250240 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: QJRIUWQPJVPYSO-QWRGUYRKSA-O

• (1S)-(+)-(1-Aminopropyl)phosphonic Acid
IUPAC Name: [(1S)-1-aminopropyl]phosphonic acid | CAS Registry Number: 98048-99-8
Synonyms: (1S)-(+)-(1-Aminopropyl)phosphonic acid, AC1ODWP5, 471895_ALDRICH, CTK5H9664, (1S)-(1-aminopropyl)phosphonic acid, [(1S)-1-aminopropyl]phosphonic acid, AG-H-98698, KB-00769, (S)-1-AMINOPROPYL PHOSPHONIC ACID, FT-0690525, I04-1505

Molecular Formula: C3H10NO3PMolecular Weight: 139.090162 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: DELJNDWGTWHHFA-VKHMYHEASA-N

• (R)-(-)-P-Toluenesulfinamide
IUPAC Name: 4-methylbenzenesulfinamide | CAS Registry Number: 247089-85-6
Synonyms: (R)-(-)-p-Toluenesulfinamide, (R)-4-methylbenzenesulfinamide, (R)-4-TOLUENESULFINAMIDE, PubChem9913, (R)-p-toluenesulfinamide, SureCN758088, 516899_ALDRICH, 520497_ALDRICH, ZINC00403365, (R)-4-Methyl-benzenesulfinic acid amide, AK129181, BP-12714, KB-03438, FT-0656545, 79552-EP2305695A2, 79552-EP2305696A2, 79552-EP2305697A2, 79552-EP2305698A2, I09-1205

Molecular Formula: C7H9NOSMolecular Weight: 155.217460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YNJDSRPIGAUCEE-SNVBAGLBSA-N

• (S)-(-)-1-Benzyl-2,2-Diphenylethylamine
IUPAC Name: (2S)-1,1,3-triphenylpropan-2-amine | CAS Registry Number: 233772-38-8
Synonyms: (S)-(-)-1-Benzyl-2,2-diphenylethylamine, SureCN5872302, 554529_ALDRICH, CTK4F1368, (-)-1-Benzyl-2,2-diphenylethylamine, AG-E-68113, I05-2725, Benzeneethanamine, b-phenyl-a-(phenylmethyl)-, (aS)-

Molecular Formula: C21H21NMolecular Weight: 287.398140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: HPRWGZYKYRRJNU-FQEVSTJZSA-N

• (1R,2S)-(-)-2-Amino-1-cyclopentanecarboxylic acid hydrochloride
IUPAC Name: (1R,2S)-2-aminocyclopentane-1-carboxylic acid hydrochloride | CAS Registry Number: 128110-37-2
Synonyms: MolPort-002-054-028, AA001, AA001-1, CID2733976, cis-2-Amino-cyclopentanecarboxylic acid hydrochloride, (1R,2S)-2-aminocyclopentane-1-carboxylic Acid Hydrochloride

Molecular Formula: C6H12ClNO2Molecular Weight: 165.617980 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: LVBDVNLIEHCCTP-JBUOLDKXSA-N

• (3-Bromopropyl)trimethylammonium bromide
IUPAC Name: 3-bromopropyl(trimethyl)azanium bromide | CAS Registry Number: 3779-42-8
Synonyms: BPTMA, 347604_ALDRICH, CHEBI:345006, MolPort-003-930-736, CID151145, NSC114234, 3-Bromopropyltrimethylammonium bromide, NSC 114234, (3-Bromo-propyl)-trimethyl-ammonium; bromide, 1-Propanaminium, 3-bromo-N,N,N-trimethyl-, bromide

Molecular Formula: C6H15Br2NMolecular Weight: 260.998000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: NNZGNZHUGJAKKT-UHFFFAOYSA-M

• (S)-Piperazine-2-Carboxylic Acid Dihydro Chloride
IUPAC Name: (2S)-piperazine-2-carboxylic acid;dihydrochloride | CAS Registry Number: 158663-69-5
Synonyms: (S)-Piperazine-2-carboxylic acid dihydrochloride, (S)-2-Piperazinecarboxylic acid dihydrochloride, (S)-Piperazine-2-carboxylic acid 2HCl, (2S)-piperazine-2-carboxylic acid dihydrochloride, (S)-Piperazine-2-carboxylic acid 2HCl, (S)-(-)-Piperazine-2-carboxylic acid 2HCl, (2S)-(-)-2-Carboxypiperazine dihydrochloride, 2-Piperazinecarboxylic acid, hydrochloride (1:2), (2S)-, PubChem6078, PubChem13115, SureCN780213, AC1MC0Q2, (S)-(-)-2-PIPERAZINECARBOXYLIC ACID DIHYDROCHLORIDE, KSC174I9T, Jsp003145, 03567_FLUKA, CTK0H4499, MolPort-002-053-720, BH789, ACN-S002925

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

InChIKey: WNSDZBQLMGKPQS-FHNDMYTFSA-N

• (S)-(+)-2-Fluoro-α-Methyl-4-Biphenylacetic Acid
IUPAC Name: (2S)-2-(3-fluoro-4-phenylphenyl)propanoic acid | CAS Registry Number: 51543-39-6
Synonyms: flurbiprofen, Esflurbiprofene, Esflurbiprofeno, Tarenflurbil, Esflurbiprofenum, Esflurbiprofene [French], Esflurbiprofenum [Latin], UNII-J5ZZK9P7MX, (S)-(+)-Flurbiprofen, Esflurbiprofeno [Spanish], MLS001066337, MLS001333207, MLS001333208, 482641_ALDRICH, CHEBI:42446, CID72099, EINECS 257-263-1, NCI60_030810, NCI60_030811, SMR000471846

Molecular Formula: C15H13FO2Molecular Weight: 244.260923 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: SYTBZMRGLBWNTM-JTQLQIEISA-N

• (+)-(18-Crown-6)-2,3,11,12-tetracarboxylic acid
IUPAC Name: (1R,2R,10R,11R)-3,6,9,12,15,18-hexaoxacyclooctadecane-1,2,10,11-tetracarboxylic acid | CAS Registry Number: 61696-54-6
Synonyms: AmbTiC90001, 18-Crown-6 4COOH, 442666_ALDRICH, MolPort-003-929-121, NSC643926, CID3082976, 18-Crown-6 2,3,11,12-tetracarboxylic acid, C90001, (2R,3R,11R,12R)-1,4,7,10,13,16-Hexaoxacyclooctadecane-2,3,11,12-tetracarboxylic acid, (2R*,3R*,11R*,12R*)-1,4,7,10,13,16-Hexaoxacyclooctadecane-2,3,11,12-tetracarboxylic acid, 1,4,7,10,13,16-Hexaoxacyclooctadecane-2,3,11,12-tetracarboxylic acid, (2R*,3R*,11R*,12R*)-, 119719-58-3

Molecular Formula: C16H24O14Molecular Weight: 440.353360 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 14

InChIKey: FZERLKNAJSFDSQ-DDHJBXDOSA-N

• (2r,3r)-2,3-Butanediol
IUPAC Name: (2R,3R)-butane-2,3-diol | CAS Registry Number: 24347-58-8
Synonyms: butanediol, 2,3-butanediol, (R,R)-2,3-butanediol, 2,3-butylene glycol, (R,R)-Butane-2,3-diol, (R,R)-2,3-Butylene glycol, D(-)-2,3-butanediol, D-2,3-BUTANEDIOL, 237639_ALDRICH, (2R,3R)-butane-2,3-diol, CHEBI:16982, (R,R)-(-)-Butane-2,3-diol, NSC15829, (2R,3R)-(-)-2,3-Butanediol, ZINC00901616, TL8002002, (2R,3R)-(−)-2,3-Butanediol, C03044, BU3, 513-85-9

Molecular Formula: C4H10O2Molecular Weight: 90.121000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: OWBTYPJTUOEWEK-QWWZWVQMSA-N

• (S)-Tetrahydrofurfurylamine
IUPAC Name: [(2S)-oxolan-2-yl]methanamine | CAS Registry Number: 7175-81-7
Synonyms: (S)-(+)-Tetrahydrofurfurylamine, (S)-(tetrahydrofuran-2-yl)methanamine, PubChem14101, PubChem17261, S-Tetrahydrofurfurylamine, SureCN226122, AC1Q50EU, (2S)-oxolan-2-ylmethanamine, 412945_ALDRICH, AC1LD327, [(2S)-oxolan-2-yl]methanamine, CTK3J0352, MolPort-001-794-503, 1-(tetrahydrofuran-2-yl)methanamine, ANW-36094, RW3008, AKOS006240275, AKOS015854579, AG-G-80678, AM81809

Molecular Formula: C5H11NOMolecular Weight: 101.146940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YNOGYQAEJGADFJ-YFKPBYRVSA-N

• (S)-(+)-1,1'-Bi-2-naphthol bis(trifluoromethanesulfonate)
IUPAC Name: [1-[2-(trifluoromethylsulfonyloxy)naphthalen-1-yl]naphthalen-2-yl] trifluoromethanesulfonate | CAS Registry Number: 128544-05-8
Synonyms: 126613-06-7, (R)-(-)-1,1'-Bi-2-naphthol bis(trifluoromethanesulfonate), NSC686511, (S)-1,1'-Bi(2-naphthol) bis(trifluoromethanesulfonate), 1,1'-Bi-2-naphthol bis(trifluoromethanesulfonate), 1,1'-binaphthalen-2,2'-diylbis(trifluormethansulfonat), (R)-1,1'-Bi(2-naphthol) bis(trifluoromethanesulfonate), 1,1'-binaphthyl-2,2'-diyl bis(trifluoromethanesulfonate), (S)-(-)-1,1'-Bi-2-naphthol bis(trifluoromethanesulfonate), (R)-(-)-1,1'-Binaphthol-2,2'-bis(trifluoromethanesulfonate), (R)-1,1'-Binaphthalene-2,2'-diyl bis(trifluoromethanesulfonate), (R)-1,1'-Binaphthyl-2,2'-diyl bis(trifluoromethane)sulphonate, (S)-(+)-1,1'-Binaphthol-2,2'-bis(trifluoromethanesulfonate), (S)-1,1'-Binaphthalene-2,2'-diyl bis(trifluoromethanesulfonate), Methanesulfonic acid, trifluoro-, (1,1'-binaphthalene)-2,2'-diyl ester, Methanesulfonic acid, trifluoro-, [1,1'-binaphthalene]-2,2'-diyl ester, [1-[2-(trifluoromethylsulfonyloxy)naphthalen-1-yl]naphthalen-2-yl] tris(fluoranyl)methanesulfonate, trifluoromethanesulfonic acid [1-[2-(trifluoromethylsulfonyloxy)-1-naphthalenyl]-2-naphthalenyl] ester, BINOL-TF2, AC1Q4KIQ

Molecular Formula: C22H12F6O6S2Molecular Weight: 550.447499 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 12

InChIKey: OYJLCOSEYYZULE-UHFFFAOYSA-N

• (3-Bromobutyl)triphenylphonium Bromide
IUPAC Name: 3-bromobutyl(triphenyl)phosphanium;bromide | CAS Registry Number: 132256-97-4
Synonyms: (3-Bromobutyl)triphenylphosphonium bromide, ACMC-1CB5P, CTK8C6346, AKOS015911201, KB-207211, FT-0643172, I14-38542

Molecular Formula: C22H23Br2PMolecular Weight: 478.199782 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: IYGZLKJGEFSHJB-UHFFFAOYSA-M

• (R)-3-Hydroxypyrrolidine hydrochloride
IUPAC Name: (3R)-pyrrolidin-3-ol;hydrochloride | CAS Registry Number: 104706-47-0
Synonyms: (R)-(-)-3-Pyrrolidinol hydrochloride, (R)-3-Hydroxypyrrolidine HCl, (r)-pyrrolidin-3-ol hydrochloride, (R)-3-Pyrrolidinol hydrochloride, (3R)-pyrrolidin-3-ol hydrochloride, r-3-hydroxypyrrolidine-hcl, 3r-pyrrolidinol hydrochloride, (r)-(+)-3-pyrrolidinol hydrochloride, (3r)-3-hydroxypyrrolidine hydrochloride, (R)-(-)-3-Hydroxypyrrolidine Hydrochloride, PubChem7469, SureCN16919, AC1MC06G, AC1Q3DR5, KSC491E6J, 430722_ALDRICH, Jsp000461, CTK3J1264, MolPort-000-004-317, (r)-pyrrolidine-3-ol hydrochloride

Molecular Formula: C4H10ClNOMolecular Weight: 123.581300 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: QPMSJEFZULFYTB-PGMHMLKASA-N

• (S)-(+)-sec-Butylamine
IUPAC Name: butan-2-amine | CAS Registry Number: 513-49-5
Synonyms: 2-Butanamine, Deccotane, Butafume, Frucote, Tutane, SEC-BUTYLAMINE, 2-Aminobutane, 2-Butylamine, 1-Methylpropanamine, 1-Methylpropylamine, 2-Aminobutane base, butan-2-amine, S-2-Butylamine, Butylamine [ISO], sec-Butylamine, (S)-, (S)-sec-Butylamine, (S)-2-Aminobutane, (+)-2-Butylamine, (RS)-sec-Butylamine, Caswell No. 125

Molecular Formula: C4H11NMolecular Weight: 73.136840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: BHRZNVHARXXAHW-UHFFFAOYSA-N

• 4-Sulfonamide Phenyl Hydrazine HCl
IUPAC Name: 4-hydrazinylbenzenesulfonamide;hydrochloride | CAS Registry Number: 27918-19-0
Synonyms: 17852-52-7, 4-hydrazinobenzene-1-sulfonamide hydrochloride, 4-hydrazinylbenzenesulfonamide Hydrochloride, 4-Hydrazinobenzenesulfonamide Hydrochloride, 4-sulfonamidephenylhydrazine hcl, 4-Aminosulfonylphenylhydrazine hydrochloride, 4-Sulfonamidophenylhydrazine hydrochloride, 4-Hydrazino-benzenesulfonamide hydrochloride, 4-hydrazinobenzene-1-sulfonamide hcl, 4-sulfonamide-phenylhydrazine hydrochloride, PubChem6410, PubChem19838, AC1MDRE2, AC1Q3DGK, ACMC-1BON1, SureCN981171, KSC174G7L, CTK0H4375, 4-hydrazinobenzenesulphonamide hcl, 4-hydrazinobenzene sulfonamide hcl

Molecular Formula: C6H10ClN3O2SMolecular Weight: 223.680500 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: IKEURONJLPUALY-UHFFFAOYSA-N

• 2,2-Diphenyl-L-Prolinol
IUPAC Name: di(phenyl)-[(2S)-pyrrolidin-1-ium-2-yl]methanol | CAS Registry Number: 112068-01-6
Synonyms: ZINC03632772

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

InChIKey: OGCGXUGBDJGFFY-INIZCTEOSA-O

• (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

• 2-[4-(methoxycarbonyl)-5-Methyl-2-Oxo-2,3-Dihydro-1h-Pyrrol-3-Yl]acetic Acid
IUPAC Name: 2-(4-methoxycarbonyl-5-methyl-2-oxo-1,3-dihydropyrrol-3-yl)acetic acid | CAS Registry Number: 77978-73-5
Synonyms: 2-[4-(Methoxycarbonyl)-5-Methyl-2-Oxo-2,3-Dihydro-1H-Pyrrol-3-Yl]Acetic Acid, AG-H-12786, Maybridge1_002247, AC1MCP8K, SureCN7820401, Oprea1_168375, AC1Q422X, CTK2H6865, HMS547O03, MolPort-000-141-865, BTB09316, CCG-45551, MCULE-7704081403, RP04866, KB-166601, FT-0610878, Y4080, SR-01000635306-1, T6397652, I14-106641

Molecular Formula: C9H11NO5Molecular Weight: 213.187340 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: WLKUVVIAHUXPSB-UHFFFAOYSA-N

• (-)-Cis, Trans-Abscisic Acid
IUPAC Name: (2Z,4E)-5-[(1R)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid | CAS Registry Number: 14398-53-9
Synonyms: (-)-Abscisic acid, (-)-ABA, ABSCISIC ACID, (-)-cis,trans-Abscisic acid, (2Z,4E)-5-[(1R)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, (7E,9Z)-(6R)-6-hydroxy-3-oxo-11-apo-epsilon-caroten-11-oic acid, (R)-5-(1-Hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methyl-(2Z,4E)-pentadienoic acid, (+)-2-cis,4-trans-abscisic acid, (R)-abscisic acid, (-)-(R)-Abscisic acid, (R)-(-)-Abscisic acid, AC1LD7U6, A8451_SIGMA, UNII-4F7961S98F, (-)-(cis,Trans)-abscisic acid, CHEBI:28937, PBI-145, (2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid, 2,4-pentadienoic acid, 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-, (2Z,4E)-, Abscisic acid, (-)-(2Z,4E)-

Molecular Formula: C15H20O4Molecular Weight: 264.316900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: JLIDBLDQVAYHNE-QHFMCZIYSA-N

• (2s,4r)-4-Methylglutamic Acid
IUPAC Name: (2S,4R)-2-azaniumyl-4-methylpentanedioate | CAS Registry Number: 31137-74-3
Synonyms: ZINC00896091, ZINC01747050, CID6971091

Molecular Formula: C6H10NO4-Molecular Weight: 160.147900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: KRKRAOXTGDJWNI-DMTCNVIQSA-M

• (4-Chloro-Phenyl)-Acetic Acid Hydrazide
IUPAC Name: 2-(4-chlorophenyl)acetohydrazide | CAS Registry Number: 57676-51-4
Synonyms: 4ClPhAcN2, 2-(4-Chlorophenyl)acetohydrazide, Oprea1_116253, ARONIS008004, 4-Chlorophenylacetic acid, hydrazide, CHEBI:304008, AIDS009043, AIDS-009043, ALBB-001040, CID456734, STK042754, ZINC01926515, [p-Chlorophenyl]acetic acid hydrazide, (4-Chloro-phenyl)-acetic acid hydrazide, T5287925

Molecular Formula: C8H9ClN2OMolecular Weight: 184.622860 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: ZXTSFZRZKFXXRG-UHFFFAOYSA-N

• (R)-(-)-Mephenytoin
IUPAC Name: (5R)-5-ethyl-3-methyl-5-phenylimidazolidine-2,4-dione | CAS Registry Number: 71140-51-7
Synonyms: Mephenytoin, L-, MEPHENYTOIN, CID119127, ZINC00000453, CAS-50-12-4, NCGC00016212-01, (5R)-5-Ethyl-3-methyl-5-phenyl-2,4-imidazolidinedione, 2,4-Imidazolidinedione, 5-ethyl-3-methyl-5-phenyl-, (R)-

Molecular Formula: C12H14N2O2Molecular Weight: 218.251760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GMHKMTDVRCWUDX-GFCCVEGCSA-N

• (S)-(-)-1,1,1-Trifluorododecan-2-Ol
IUPAC Name: (2S)-1,1,1-trifluorododecan-2-ol | CAS Registry Number: 138329-46-1
Synonyms: (S)-(-)-1,1,1-TRIFLUORODODECAN-2-OL, CTK4C1208, MolPort-001-771-498, PC0650, SBB099291, (2S)-1,1,1-trifluorododecan-2-ol, AG-D-77561, FT-0605187

Molecular Formula: C12H23F3OMolecular Weight: 240.305630 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: MVHWXVCSJHZULK-NSHDSACASA-N

• (S)-(-)-3,3,3-Trifluoro-2-Hydroxypropanoic Acid
IUPAC Name: (2S)-3,3,3-trifluoro-2-hydroxypropanoic acid | CAS Registry Number: 125995-00-8
Synonyms: (2S)-3,3,3-trifluoro-2-hydroxypropanoic acid, AC1OLRRX, Propanoic acid,3,3,3-trifluoro-2-hydroxy-, (2S)-, (S)-Trifluorolactic Acid;, 532509_ALDRICH, CTK4B4892, MolPort-001-777-889, 121250-04-2, PC8122, AG-D-54663, AK-55439, FT-0605217, (S)-3,3,3-Trifluoro-2-hydroxypropanoic acid, (2R)-2-Hydroxy-3,3,3-trifluoropropanoic acid, (S)-(-)-3,3,3-Trifluoro-2-hydroxypropanoic acid, I14-39029, I14-39035

Molecular Formula: C3H3F3O3Molecular Weight: 144.049330 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: BVKGUTLIPHZYCX-SFOWXEAESA-N

• [(5-Chlorobenzo[B]Thiophen-3-Yl)Methyl](Triphenyl)Phosphonium Bromide
IUPAC Name: (5-chloro-1-benzothiophen-3-yl)methyl-triphenylphosphanium;bromide | CAS Registry Number: 175203-96-0
Synonyms: AC1MCWIM, CTK8H2724, MWP00173, AKOS015908850, I14-34996, (5-chloro-1-benzothiophen-3-yl)methyl-triphenylphosphanium bromide, [(5-chloro-1-benzothiophen-3-yl)methyl]triphenylphosphanium bromide, [(5-chlorobenzo[b]thiophen-3-yl)methyl](triphenyl)phosphonium bromide

Molecular Formula: C27H21BrClPSMolecular Weight: 523.851402 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: IOZBXXDJAXBEBU-UHFFFAOYSA-M

• 1h,1h,2h,2h-Perfluorooctylmethyldichlorosilane
IUPAC Name: dichloro-methyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane | CAS Registry Number: 73609-36-6
Synonyms: EINECS 277-551-0, CID123573, (Tridecafluoro-1,1,2,2-tetrahydrooctyl)-1-methyldichlorosilane, Dichloromethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane, Silane, dichloromethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-

Molecular Formula: C9H7Cl2F13SiMolecular Weight: 461.122622 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 13

InChIKey: VBDMVWQNRXVEGC-UHFFFAOYSA-N

• 2-([2-[(4-Chlorophenyl)Sulfonyl]Ethyl]Thio)Acetic Acid
IUPAC Name: 2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]acetic acid | CAS Registry Number: 175137-71-0
Synonyms: 2-({2-[(4-Chlorophenyl)sulfonyl]ethyl}thio)acetic acid, Maybridge1_004496, 2-([2-[(4-CHLOROPHENYL)SULFONYL]ETHYL]THIO)ACETIC ACID, AC1MCTEJ, CTK4D5367, HMS554E08, MolPort-000-144-555, CCG-51462, AKOS009101085, AG-E-25006, KM01502, RP06767, KB-66656, FT-0608343, Y7899, SR-01000640758-1, I14-35163, {[2-(4-chlorobenzenesulfonyl)ethyl]sulfanyl}acetic acid, 2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]acetic acid, 2-({2-[(4-chlorophenyl)sulphonyl]ethyl}thio)acetic acid

Molecular Formula: C10H11ClO4S2Molecular Weight: 294.774940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: IFJCOWCJLLWCQI-UHFFFAOYSA-N

• 2,5-Dichlorohydroquinone
IUPAC Name: 2,5-dichlorobenzene-1,4-diol | CAS Registry Number: 824-69-1
Synonyms: 2,5-dichlorohydroquinone, Hydroquinone, 2,5-dichloro-, 2,5-Dichloro-p-hydroquinone, 2,5-dichloro-p-quinol, 2,5-dichlorohydroquinol, 1,4-Benzenediol, 2,5-dichloro-, 2,6-Dichlorohydroquinone, 2,5-Dichloro-1,4-hydroquinone, 2,5-Dichloro-p-benzohydroquinone, CCRIS 5677, CID65, 2,5-Dichloro-1,4-benzenediol, 2,5-Dichloro-1,4-dihydroxybenzene, 25-DICHLOROHYDROQUINONE, 2,5-DCHQ, 480487_ALDRICH, 2,6-Dichloro-1,4-benzenediol, EINECS 212-533-8, NSC 48667, ZINC00403237

Molecular Formula: C6H4Cl2O2Molecular Weight: 179.000760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: AYNPIRVEWMUJDE-UHFFFAOYSA-N

• (4-Pyridylthio)acetic acid
IUPAC Name: 2-pyridin-4-ylsulfanylacetic acid | CAS Registry Number: 10351-19-6
Synonyms: 4-Pyridylthioacetic acid, 4-Pyridylmercaptoacetic acid, (4-Pyridinylthio)acetic acid, 183237_ALDRICH, Acetic acid, (4-pyridinylthio)-, .alpha.-(4-Pyridylthio)acetic acid, EINECS 233-765-6, ST5308562, TL8000152

Molecular Formula: C7H7NO2SMolecular Weight: 169.200980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: PGUPJAPHYIEKLT-UHFFFAOYSA-N

• (1,1,2,2-Tetrafluoroethoxy)Benzene
IUPAC Name: 1,1,2,2-tetrafluoroethoxybenzene | CAS Registry Number: 350-57-2
Synonyms: Fentalene-14, (Tetrafluoroethoxy)benzene, TETRAFLUOROETHOXYBENZENE, Benzene, (tetrafluoroethoxy)-, Ether, phenyl tetrafluoroethoxy, (1,1,2,2-Tetrafluoroethoxy)benzene, 552216_ALDRICH, Tetrafluoroethyl ether of phenol, NIOSH/DC0300000, EINECS 206-505-4, CID67692, BRN 2255899, ZINC00163973, Benzene, (1,1,2,2-tetrafluoroethoxy)-, DC0300000, LS-32177, LS-32178, PB90200992, 3-06-00-00598 (Beilstein Handbook Reference)

Molecular Formula: C8H6F4OMolecular Weight: 194.126253 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: GRDIVJPQARIBNZ-UHFFFAOYSA-N

• (Methylthio)Acetic Acid
IUPAC Name: 2-methylsulfanylacetic acid | CAS Registry Number: 2444-37-3
Synonyms: (Methylthio)acetic acid, S-Methylthioglycolate, 2-Methylthioacetic acid, Acetic acid, (methylthio)-, (Methylmercapto)acetic acid, 359483_ALDRICH, CHEBI:47870, CID75551, EINECS 219-483-6, NSC263480, NSC 263480, C03173, T5215415, MTG

Molecular Formula: C3H6O2SMolecular Weight: 106.143540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HGTBAIVLETUVCG-UHFFFAOYSA-N

• (Methylthio)Acetonitrile
IUPAC Name: 2-methylsulfanylacetonitrile | CAS Registry Number: 35120-10-6
Synonyms: Methylthioacetonitrile, (Methylthio)-acetonitrile, (Methylthio)acetonitrile, Acetonitrile, (methylthio)-, 160822_ALDRICH, NSC207831, CID99295, EINECS 252-383-0, ZINC01743201, InChI=1/C3H5NS/c1-5-3-2-4/h3H2,1H

Molecular Formula: C3H5NSMolecular Weight: 87.143500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ZRIGDBVSVFSVLL-UHFFFAOYSA-N

• (S)-(-)-1,1,1-Trifluorodecan-2-Ol
IUPAC Name: 1,1,1-trifluorodecan-2-ol | CAS Registry Number: 111423-27-9
Synonyms: (S)-(-)-1,1,1-Trifluorodecan-2-ol (>98% ee), 1,1,1-trifluorodecan-2-ol, 2-Decanol,1,1,1-trifluoro-, (2S)-, ACMC-20mec2, AC1MYZ00, CTK8G5742, MolPort-003-990-786, AKOS009159329

Molecular Formula: C10H19F3OMolecular Weight: 212.252470 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: FZHCYMPYGWJDQU-UHFFFAOYSA-N

• (S)-(-)-1,1,1-Trifluoroheptan-2-Ol
IUPAC Name: (2S)-1,1,1-trifluoroheptan-2-ol | CAS Registry Number: 130025-35-3
Synonyms: (S)-1,1,1-Trifluoroheptan-2-ol, (2S)-1,1,1-trifluoroheptan-2-ol, (S)-(-)-1,1,1-Trifluoroheptan-2-ol, 2-Heptanol,1,1,1-trifluoro-, (2S)-, AC1ODTH7, CTK4B6483, MolPort-000-158-896, ANW-55783, PC0644, SBB088410, ZINC02565678, (2S)-1,1,1-trifluoro-2-heptanol, AKOS006337400, AG-D-60872, AK-57295, (2S)-1,1,1-tris(fluoranyl)heptan-2-ol, KB-210739, FT-0605188, A806006, 2-Heptanol,1,1,1-trifluoro-, (S)-; (S)-1-Trifluoromethyl-1-hexanol

Molecular Formula: C7H13F3OMolecular Weight: 170.172730 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: YFVHSPAONQXAIB-LURJTMIESA-N

• (S)-1-Tosyloxy-2,3-Propanediol
IUPAC Name: [(2S)-2,3-dihydroxypropyl] 4-methylbenzenesulfonate | CAS Registry Number: 50765-70-3
Synonyms: (S)-1-TOSYLOXY-2,3-PROPANEDIOL, (S)-1-Tosyloxyglycerol, CTK1G7773, ZINC02562403, (S)-3-(Tosyloxy)-1,2-propanediol, AG-F-70985, (S)-3-(p-Toluenesulfonyloxy)-1,2-propanediol, (S)-1,2,3-Propanetriol 4-methylbenzenesulfonate, (S)-1-TOSYL-GLYCEROL;(S)-1-TOSYLOXY-2,3-PROPANEDIOL

Molecular Formula: C10H14O5SMolecular Weight: 246.280160 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: DFQNMODTAFTGHS-VIFPVBQESA-N

• 2-(4,5-Dichloro-1h-Imidazol-1-Yl)Ethanohydrazide
IUPAC Name: 2-(4,5-dichloroimidazol-1-yl)acetohydrazide | CAS Registry Number: 175137-68-5
Synonyms: 2-(4,5-Dichloro-1H-imidazol-1-yl)ethanohydrazide, 2-(4,5-dichloroimidazol-1-yl)acetohydrazide, 2-(4,5-dichloro-1H-imidazol-1-yl)acetohydrazide, ZINC02557584, AC1MCTCS, CTK4D5364, MolPort-001-764-062, SBB094140, STL100282, AKOS005736687, AG-E-25003, MCULE-7857939310, OR25101, 2-(4,5-dichloroimidazolyl)acetohydrazide, AK-60712, KB-162784, FT-0608573, I14-35167

Molecular Formula: C5H6Cl2N4OMolecular Weight: 209.033340 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: RZLSBIKQOCNNMQ-UHFFFAOYSA-N

• (5-Mercapto-1,3,4-Thiadiazole-2-Ylthio)Acetic Acid
IUPAC Name: 2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]acetic acid | CAS Registry Number: 53723-88-9
Synonyms: Maybridge1_001968, NSC12586, EINECS 258-728-1, CID1714399, EN300-27742, AO-780/25081015, T5878273, [(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid, ((4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio)acetic acid, Acetic acid, ((4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio)-

Molecular Formula: C4H4N2O2S3Molecular Weight: 208.281760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: UJBXVTJYSIDCIE-UHFFFAOYSA-N

• (2S,3R)-3-Amino-2-Hydroxy-4-Phenylbutyric Acid
IUPAC Name: (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid | CAS Registry Number: 59554-14-2
Synonyms: (2S,3R)-3-Amino-2-hydroxy-4-phenylbutyric acid, (2S,3R)-3-Amino-2-hydroxy-4-phenyl-butyric acid, (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid, (2R,3S)-3-amino-2-hydroxy-4-phenylbutanoic acid, SureCN2029167, CHEMBL70899, CTK4B5884, MolPort-002-499-633, 76647-67-1, ANW-59644, AKOS006346210, AC-6924, AG-D-58340, MB00533, 3-Amino-2-hydroxy-4-phenyl-butyricacid, AK-44017, V2360, A832362, (2S,3R)-3-azanyl-2-oxidanyl-4-phenyl-butanoic acid, Benzenebutanoic acid, |A-amino-|A-hydroxy-, (|AS,|AR)-, hydrochloride (1:1)

Molecular Formula: C10H13NO3Molecular Weight: 195.215120 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: LDSJMFGYNFIFRK-BDAKNGLRSA-N

• (2R,3R)-(-)-2-Benzyloxy-1,3,4-Butanetriol
IUPAC Name: (2R,3R)-3-phenylmethoxybutane-1,2,4-triol | CAS Registry Number: 84379-52-2
Synonyms: (-)-2-O-Benzyl-D-threitol, (2R,3R)-(-)-2-Benzyloxy-1,3,4-butanetriol, SureCN614140, 13624_FLUKA, AKOS015913658, (2R,3R)-3-benzyloxy-1,2,4-butanetriol, I14-45519

Molecular Formula: C11H16O4Molecular Weight: 212.242340 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: YYGZBCNOJHZTGA-GHMZBOCLSA-N

• (S)-(-)-2-Amino-4-Methyl-1,1-Diphenyl-1-Pentanol
IUPAC Name: (2S)-2-amino-4-methyl-1,1-diphenylpentan-1-ol | CAS Registry Number: 78603-97-1
Synonyms: (S)-(-)-2-Amino-4-methyl-1,1-diphenyl-1-pentanol, SureCN4918492, 554561_ALDRICH, CTK5E5953, AKOS015911394, AG-H-15348, I14-39445, (2S)-2-AMINO-4-METHYL-1,1-DIPHENYLPENTAN-1-OL, Benzenemethanol, a-[(1S)-1-amino-3-methylbutyl]-a-phenyl-

Molecular Formula: C18H23NOMolecular Weight: 269.381320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: XECSMDWXBMBRDE-KRWDZBQOSA-N

• (2R,3r)-1,4-Di-O-Tosyl-2,3-O-Isopropylidene-D-Threitol
IUPAC Name: [2,2-dimethyl-5-[(4-methylphenyl)sulfonyloxymethyl]-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate | CAS Registry Number: 51064-65-4
Synonyms: MolPort-002-132-213, NSC123455, CID275953, NSC123095, STK368179, DAH1584091, (-)-1,4-Ditosyl-2,3,O-isopropylidene-L-threitol, (-)-1,4-di-O-Tosyl-2,3-O-isopropylidene-L-threitol, (2,2-dimethyl-1,3-dioxolane-4,5-diyl)dimethanediyl bis(4-methylbenzenesulfonate), 1,3-Dioxolane-4,5-dimethanol, 2,2-dimethyl-, bis(4-methylbenzenesulfonate), [2,2-Dimethyl-5-(([(4-methylphenyl)sulfonyl]oxy)methyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate, 37002-45-2

Molecular Formula: C21H26O8S2Molecular Weight: 470.556340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: KPFDKWNWYAXRNJ-UHFFFAOYSA-N

• (+)-B-Chlorodiisopinocamphenylborane
IUPAC Name: chloro-[(4R,5S)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-[(4S,5R)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]borane | CAS Registry Number: 112246-73-8
Synonyms: AB1011211

Molecular Formula: C20H34BClMolecular Weight: 320.747960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: PSEHHVRCDVOTID-NSJQXPOASA-N

• (S)-2-Methoxycyclohexanone
IUPAC Name: 2-methoxycyclohexan-1-one | CAS Registry Number: 155320-76-6
Synonyms: 2-Methoxycyclohexanone, Cyclohexanone, 2-methoxy-, 7429-44-9, 2-methoxycyclohexan-1-one, (S)-2-METHOXYCYCLOHEXANONE, ACMC-1BITU, AC1Q4FFG, AC1Q4FFH, AC1Q6EPG, 2-methoxy-1-cyclohexanone, SureCN181970, AC1L38SH, 227331_ALDRICH, CTK5D9682, MolPort-001-793-388, EINECS 231-071-8, ANW-36459, AR-1E3182, AKOS009156954, AG-G-95250

Molecular Formula: C7H12O2Molecular Weight: 128.168980 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: JYJURPHZXCLFDX-UHFFFAOYSA-N


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