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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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• 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

• (+)-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

• (1R,2S)-2-Amino-1,2-diphenylethanol
IUPAC Name: (1R,2S)-2-amino-1,2-diphenylethanol | CAS Registry Number: 23190-16-1
Synonyms: (1R,2S)-(-)-2-Amino-1,2-diphenylethanol, (1R,2S)-2-Amino-1,2-diphenyl-ethanol, PubChem5986, AC1LEXYY, AC1Q59PK, SureCN1131702, KSC201S9N, 331899_ALDRICH, CHEMBL442934, Jsp004682, CTK1A1996, GEJJWYZZKKKSEV-UONOGXRCSA-, MolPort-001-794-198, KST-1A2944, ACN-S001453, ACN-S003457, ACT06724, ACT07644, ANW-25077, AR-1A1156

Molecular Formula: C14H15NOMolecular Weight: 213.275000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: GEJJWYZZKKKSEV-UONOGXRCSA-N

• (-)-DIOP
IUPAC Name: [5-[di(phenyl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-di(phenyl)phosphane | CAS Registry Number: 32305-98-9
Synonyms: NSC699412, AIDS153218, AIDS-153218, EINECS 250-984-2, NCI60_035591, (-)-2,2-Dimethyl-4,5-((diphenylphosphino)dimethyl)dioxolane, (+)-2,3-O-Isopropylidene-2,3-dihydroxy-1,4-bis(diphenylphosphino)butane, 2,3,O-Isopropylidene-2,3-dihydroxy-1,4-bis(diphenylphosphino)butane, ((5-((Diphenylphosphino)methyl)-2,2-dimethyl-1,3-dioxolan-4-yl)methyl)(diphenyl)phosphine, (-)-1,4-Bis(diphenylphosphino)-1,4-dideoxy-2,3-O-isopropylidene-L-threitol, Phosphine, [(2,2-dimethyl-1,3-dioxolane-4,5-diyl)bis(methylene)]bis[diphenyl-, (4S-trans)-

Molecular Formula: C31H32O2P2Molecular Weight: 498.532102 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: VCHDBLPQYJAQSQ-UHFFFAOYSA-N

• (2S,5S)-(+)-Hexanediol
IUPAC Name: (2S,5S)-hexane-2,5-diol | CAS Registry Number: 34338-96-0
Synonyms: 2,5-HEXANEDIOL, (2S,5S)-2,5-Hexanediol, 396729_ALDRICH, 52793_FLUKA, ZINC00388717, 2935-44-6

Molecular Formula: C6H14O2Molecular Weight: 118.174160 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: OHMBHFSEKCCCBW-WDSKDSINSA-N

• (1S)-(-)-Camphanic chloride
IUPAC Name: (1R,4S)-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carbonyl chloride | CAS Registry Number: 39637-74-6
Synonyms: Camphanoylchloride, Camphanoyl chloride, Ambap5166, 226173_ALDRICH, 21287_FLUKA, (−)-Camphanoyl chloride, EINECS 254-552-4, ZINC02508200, 3-Oxa-2-oxobornane-4-carbonyl chloride, (1S)-(−)-Camphanic chloride, (1S)-3-Oxo-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptane-1-carbonyl chloride, 2-Oxabicyclo(2.2.1)heptane-1-carbonyl chloride, 4,7,7-trimethyl-3-oxo-, (1S)-

Molecular Formula: C10H13ClO3Molecular Weight: 216.661420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: PAXWODJTHKJQDZ-VHSXEESVSA-N

• (S)-2-Tetrahydrofuroic acid
IUPAC Name: (2S)-oxolane-2-carboxylic acid | CAS Registry Number: 87392-07-2
Synonyms: (S)-(-)-2-Tetrahydrofuroic Acid, (S)-(-)-Tetrahydro-2-furoic acid, (2S)-oxolane-2-carboxylic acid, (S)-(-)-2-Carboxytetrahydrofuroic acid, (S)-tetrahydro-2-furoic acid, (S)-(-)-Tetrahydrofuran-2-carboxylic Acid, AG-H-52599, TFB, 2-Furancarboxylic acid, tetrahydro-, PubChem5795, SureCN239908, AC1L9JY0, AC1Q71BL, UNII-0I2B46K2SJ, (-)-Tetrahydro-2-furoic acid, (2S)-2-oxolanecarboxylic acid, 527890_ALDRICH, CTK3J6635, MolPort-001-792-498, Tetrahydro-2-furoic acid, (-)-

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

InChIKey: UJJLJRQIPMGXEZ-BYPYZUCNSA-N

• 2-[(2,4-Dichlorophenyl)sulfonyl]acetonitrile
IUPAC Name: 2-(2,4-dichlorophenyl)sulfonylacetonitrile | CAS Registry Number: 87475-64-7
Synonyms: SBB061883, 2,4-Dichlorobenzenesulphonylacetonitrile, 2-(2,4-dichlorophenyl)sulfonylacetonitrile, ZINC00153548, AC1MC4IA, Maybridge1_004896, CTK5F8498, HMS555G12, MolPort-000-144-725, STL284687, AKOS015994418, AG-H-53044, MCULE-1504824633, RP06107, KB-92648, [(2,4-dichlorophenyl)sulfonyl]acetonitrile, 2-(2,4-dichlorobenzenesulfonyl)acetonitrile, 2-(2,4-dichlorophenyl)sulfonylethanenitrile, KB-164710, FT-0610784

Molecular Formula: C8H5Cl2NO2SMolecular Weight: 250.101800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: RIJAUKHQIOCSTA-UHFFFAOYSA-N

• (2-Pyrimidylthio)acetic acid
IUPAC Name: 2-pyrimidin-2-ylsulfanylacetic acid | CAS Registry Number: 88768-45-0
Synonyms: MLS000774942, 275530_ALDRICH, (Pyrimidin-2-ylthio)acetic acid, 2-(Carboxymethylthio)-pyrimidine, Acetic acid, (2-pyrimidinylthio)-, EINECS 289-445-1, SMR000365589, ST5142922

Molecular Formula: C6H6N2O2SMolecular Weight: 170.189040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: NIEOYUNNKKAQKI-UHFFFAOYSA-N

• (R)-(-)-3-Acetyl-4-Benzyl-2-Oxazolidinone
IUPAC Name: (4R)-3-acetyl-4-(phenylmethyl)-1,3-oxazolidin-2-one | CAS Registry Number: 132836-66-9
Synonyms: ZINC00154521

Molecular Formula: C12H13NO3Molecular Weight: 219.236520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: YMVGXIZVSPMNPD-LLVKDONJSA-N

• 3-Methoxyphenylacetonitrile
IUPAC Name: 2-(3-methoxyphenyl)acetonitrile | CAS Registry Number: 19924-43-7
Synonyms: 3-Methoxybenzyl cyanide, (3-Methoxyphenyl)acetonitrile, (m-Methoxyphenyl)acetonitrile, 209392_ALDRICH, EINECS 243-428-5, NSC143401, ZINC00153293, BBV-048492, InChI=1/C9H9NO/c1-11-9-4-2-3-8(7-9)5-6-10/h2-4,7H,5H2,1H

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

InChIKey: LXKNAUOWEJWGTE-UHFFFAOYSA-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

• (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

• (S)-3-Hydroxy-1-benzylpyrrolidine
IUPAC Name: (3S)-1-benzylpyrrolidin-3-ol | CAS Registry Number: 101385-90-4
Synonyms: (S)-1-Benzyl-3-pyrrolidinol, (S)-1-Benzylpyrrolidin-3-ol, (S)-1-Benzyl-3-hydroxypyrrolidine, (3S)-1-benzylpyrrolidin-3-ol, s-bhp, (S)-(-)-1-Benzyl-3-pyrrolidinol, (s)-1-benzyl-pyrrolidin-3-ol, (S)-N-Benzyl-3-hydroxypyrrolidine, (s)-1-n-benzyl-3-hydroxypyrrolidine, (s)-n-benzyl-3-pyrrolidinol, (s)-1-benzyl-pyrrolidine-3-ol, (s)-3-hydroxy-1-benzylpyrrolidine, (3s)-(-)-n-benzyl-3-pyrrolidinol, (S)-3-Hydroxy-1-benzyl-pyrrolidine, (s)-1-n-benzyl-3-hydroxypyrrolidinol, (s)-(-)-1-benzyl-3-hydroxypyrrolidine, (s)-(-)-n-benzyl 3-hydroxypyrrolidine, ST50408489, (S)-( pound inverted question mark)-1-Benzyl-3-pyrrolidinol, PubChem13097

Molecular Formula: C11H15NOMolecular Weight: 177.242900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YQMXOIAIYXXXEE-NSHDSACASA-N

• (R)-1-Aminoindane
IUPAC Name: (1R)-2,3-dihydro-1H-inden-1-amine | CAS Registry Number: 10277-74-4
Synonyms: (R)-(-)-1-Aminoindan, (R)-(-)-1-Aminoindane, (1R)-2,3-dihydro-1H-inden-1-amine, (R)-(-)-1-Indanamine, (R)-2,3-dihydro-1H-inden-1-amine, (R)-1-Aminoindan, AC1MBZZT, PubChem21741, (1R)INDANYLAMINE, R-AI, SureCN42279, AC1Q4U9Q, RASAGILINE INTERMEDIATE, (R)-INDAN-1-YLAMINE, (1R)-INDAN-1-AMINE, (R)-(-)-INDANAMINE, 445347_ALDRICH, CTK0H4282, MolPort-001-767-521, ALPHACHIRON 19165A832

Molecular Formula: C9H11NMolecular Weight: 133.190340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: XJEVHMGJSYVQBQ-SECBINFHSA-N

• (1S,2R)-(-)-1Amino-2-indanol
IUPAC Name: [(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]azanium | CAS Registry Number: 126456-43-7
Synonyms: ZINC00154811, ZINC00154815, CID10942615

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

InChIKey: LOPKSXMQWBYUOI-BDAKNGLRSA-O

• (S)-1,2,3,4-Tetrahydroisoquinolin-3-yl-methanol
IUPAC Name: [(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]methanol | CAS Registry Number: 18881-17-9
Synonyms: ZINC00128546, ZINC00266754, CID6942093

Molecular Formula: C10H14NO+Molecular Weight: 164.224260 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: ZSKDXMLMMQFHGW-JTQLQIEISA-O

• 2-Bromo-6-(hydroxymethyl)pyridine
IUPAC Name: (6-bromopyridin-2-yl)methanol | CAS Registry Number: 33674-96-3
Synonyms: 6-Bromo-2-pyridinemethanol, 554146_ALDRICH, (6-Bromo-pyridin-2-yl)methanol, (6-Bromo-Pyridin-2-yl)-Methanol, TL8002537

Molecular Formula: C6H6BrNOMolecular Weight: 188.021940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: XDDGKNRSCDEWBR-UHFFFAOYSA-N

• 2-Aminoethyl diphenylborinate
IUPAC Name: 2-di(phenyl)boranyloxyethanamine | CAS Registry Number: 524-95-8
Synonyms: Borinic acid, Diphenylborinic acid, 2-APB, 2-Aminoethoxydiphenylborane, Tocris-1224, 2-aminoethoxydephenylborate, (2-Aminoethoxy)diphenylborane, 2-Aminoethoxydiphenylborate, 2-Aminoethyl diphenyl borate, B-(2-Aminoethoxy)diphenylborane, BSPBio_002506, (2-Aminoethoxy)(diphenyl)borane, D9754_SIGMA, SPECTRUM1505120, SPECTRUM1505159, o-(2-Aminoethyl)diphenylborinic acid, NSC17107, 42810_FLUKA, EINECS 208-366-5, CID1598

Molecular Formula: C14H16BNOMolecular Weight: 225.093940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: BLZVCIGGICSWIG-UHFFFAOYSA-N

• (S)-3-AminoPyrrolidine dihydrochloride
IUPAC Name: (3S)-pyrrolidin-3-amine;dihydrochloride | CAS Registry Number: 116183-83-6
Synonyms: (S)-(+)-3-Aminopyrrolidine dihydrochloride, (3S)-(+)-3-Aminopyrrolidine Dihydrochloride, (S)-3-Aminopyrrolidine 2HCl, (S)-3-Aminopyrrolidine dihydrochloride, (S)-pyrrolidin-3-amine dihydrochloride, (S)-(+)-3-AMINOPYRROLIDINE 2HCL, (S)-(+)-3-Aminopyrrolidinedihydrochloride, PubChem11156, SureCN4717529, Jsp001160, CTK3J1285, MolPort-001-768-445, ACT04905, ANW-16945, OR4631, AKOS015845483, AB02823, AC-6713, AM81993, LS30070

Molecular Formula: C4H12Cl2N2Molecular Weight: 159.057480 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 2

InChIKey: NJPNCMOUEXEGBL-FHNDMYTFSA-N

• (S)-(-)-Indoline-2-carboxylicacid
IUPAC Name: (2S)-2,3-dihydro-1H-indole-2-carboxylic acid | CAS Registry Number: 79815-20-6
Synonyms: (S)-(-)-Indoline-2-carboxylic acid, (S)-Indoline-2-carboxylic acid, (2S)-2,3-dihydro-1H-indole-2-carboxylic acid, s-(-)-indoline-2-carboxylic acid, L-(-)-Indoline-2-carboxylic acid, (S)-(-)-Indolin-2-carboxylic acid, L-Indoline-2-carboxylic acid, s-dic, h-idc-oh, PubChem6053, CDS1_000178, AC1MBZYQ, (s)-2-carboxyindoline, Maybridge1_002466, SureCN926388, AC1Q71AJ, AC1Q71AK, (S)-Indoline-2-carboxylic, s-indoline-2-carboxylic acid, KSC171G1L

Molecular Formula: C9H9NO2Molecular Weight: 163.173260 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: QNRXNRGSOJZINA-QMMMGPOBSA-N

• 4-BMA
IUPAC Name: (2R)-2-[(2S,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]propanoic acid | CAS Registry Number: 90776-58-2
Synonyms: 4-bma, side chain for imipenem, (3S,4S)-3-((R)-(tert-Butyldimethyl-silyloxy)ethyl)-4((R)-carboxyethyl)-2-azetidinone, (3S,4S)-3-[(R)-1-(tert-Butyldimethylsilyloxy)ethyl]-4-[(R)-1-carboxyethyl]-2-azetidinone, (3s,4s)-4-[(r)-1-carboxyethyl]-3-[(r)-1-(t-butyldimethylsilyloxy)ethyl]-2-azetidinone, (r)-2-((2s,3s)-3-((r)-1-(tert-butyldimethylsilyloxy)ethyl)-4-oxoazetidin-2-yl)propanoic acid, (r)-2-[(3s,4s)-3-[(r)-1-(tert-butyldimethylsilyloxy)ethyl]-2-oxoazetidin-4-yl]propionic acid, 4bma, SureCN2328228, CTK5G8408, (3S,4S)-4-[(R)-1-carboxy-ethyl]-3-[(R)-1-(t-butyldimethylsilyloxy)ethyl]-2-azetidinone, MolPort-003-987-419, ANW-39519, AKOS015836361, AKOS015950795, AC-4274, AG-L-25025, AK-94048, K799, AB1004615

Molecular Formula: C14H27NO4SiMolecular Weight: 301.453980 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: NNANGMFTFSNDLW-GWOFURMSSA-N

• (4-Chlorophenyl)(cyclopropyl)methanone o-(4-nitrobenzyl)oxime
IUPAC Name: 1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-nitrophenyl)methoxy]methanimine | CAS Registry Number: 94097-88-8
Synonyms: (4-chlorophenyl)(cyclopropyl)methanone O-(4-nitrobenzyl)oxime, 1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-nitrophenyl)methoxy]methanimine, AC1MC8DY, CTK5H4968, AG-H-86862, A844812

Molecular Formula: C17H15ClN2O3Molecular Weight: 330.765600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: LZLLLIXVUHWOKV-UHFFFAOYSA-N

• (R)-2-(Pentanol)
IUPAC Name: pentan-2-ol | CAS Registry Number: 31087-44-2
Synonyms: sec-Amyl alcohol, sec-Pentyl alcohol, 2-Hydroxypentane, Pentanol-2, Methyl butanol, Pentanol, sec-, 2-Pentyl alcohol, 2-PENTANOL, alpha-Methylbutanol, Methyl propyl carbinol, Butanol, methyl-, Methylbutan-1-ol, 1-Methyl-1-butanol, ()-2-Pentanol, (R)-(-)-2-Pentanol, Isoamyl alcohol, secondary, (S)-(+)-2-Pentanol, FEMA No. 3316, P8017_ALDRICH, W331600_ALDRICH

Molecular Formula: C5H12OMolecular Weight: 88.148180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: JYVLIDXNZAXMDK-UHFFFAOYSA-N

• (S)-(+)-1,1'-Bi-2-naphthyl ditosylate
IUPAC Name: [1-[2-(4-methylphenyl)sulfonyloxynaphthalen-1-yl]naphthalen-2-yl] 4-methylbenzenesulfonate | CAS Registry Number: 128544-06-9
Synonyms: (R)-(-)-1,1'-Bi-2-naphthyl ditosylate, 596809_ALDRICH, 597252_ALDRICH, 1,1'-Bi-2-naphthyl ditosylate, AKOS015889275, AC-20453, TL8000695, FT-0643094, FT-0657375, FT-0658963, ST50826417, A116074, A116075, A805840, I01-1923, I14-46471, 1,1 inverted exclamation marka-Bi-2-naphthyl ditosylate, (R)-(-)-2,2'-Bis(p-toluenesulfonyloxy)-1,1'-binaphthalene, (S)-(+)-1,1'-BI-2-NAPHTHYL DI-P-TOLUENESULFONATE, (S)-(-)-2,2'-Bis(p-toluenesulfonyloxy)-1,1'-binaphthalene

Molecular Formula: C34H26O6S2Molecular Weight: 594.696640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: BKYJBVWKVKRIDN-UHFFFAOYSA-N

• 3-Indazolinone
IUPAC Name: 1,2-dihydroindazol-3-one | CAS Registry Number: 7364-25-2
Synonyms: Indazolinone, 1H-Indazol-3-ol, 3-Indazolone, 3-Hydroxy-1H-indazole, Benzopyrazol-3-, 3-Hydroxyindazole, 3-Oxo-1,2-indazole, 3-Indazolinone (8CI), 1,2-Dihydro-3H-indazol-3-one, 3H-Indazol-3-one, 1,2-dihydro-, CCRIS 6800, I2606_ALDRICH, NSC 9352, 56920_FLUKA, EINECS 230-904-2, 1,2-Dihydro-1H-indazol-3-one, NSC9352, AIDS009166, AIDS-009166, SBB004210

Molecular Formula: C7H6N2OMolecular Weight: 134.135340 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: SWEICGMKXPNXNU-UHFFFAOYSA-N

• (R) - (-) -6, 6-Dibromo-1, 1-bi-2-naphthol
IUPAC Name: 6-bromo-1-(6-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol | CAS Registry Number: 65283-60-5
Synonyms: 464864_ALDRICH, 482617_ALDRICH, 482625_ALDRICH, NSC9772, ZINC01700183, 6,6'-Dibromo-1,1'-bi-2-naphthol, ST5307877, (R)-(-)-6,6'-Dibromo-1,1'-bi-2-naphthol, (S)-(+)-6,6'-Dibromo-1,1'-bi-2-naphthol, 13185-00-7

Molecular Formula: C20H12Br2O2Molecular Weight: 444.116080 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: OORIFUHRGQKYEV-UHFFFAOYSA-N

• (+)-2,3,O-Isopropylidene-L-Threitol
IUPAC Name: [5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol | CAS Registry Number: 50622-09-8
Synonyms: NSC254136, EINECS 256-658-6, EINECS 277-391-1, CID318275, (+)-2,3-O-Isopropylidene-L-threitol, (-)-2,3-O-Isopropylidene-d-threitol, 1,3-Dioxolane-4,5-dimethanol, 2,2-dimethyl-, D-(-)-2,2-Dimethyl-1,3-dioxolane-4,5-dimethanol, L-(+)-2,2-Dimethyl-1,3-dioxolane-4,5-dimethanol, 1,3-Dioxolane-4,5-dimethanol, 2,2-dimethyl-, (4R-trans)-, 1,3-Dioxolane-4,5-dimethanol, 2,2-dimethyl-, (4S-trans)-, 25432-12-6, 73346-74-4

Molecular Formula: C7H14O4Molecular Weight: 162.183660 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: INVRLGIKFANLFP-UHFFFAOYSA-N

• 2-(4-Methoxyphenyl)Acetohydrazide
IUPAC Name: 2-(4-methoxyphenyl)acetohydrazide | CAS Registry Number: 57676-49-0
Synonyms: 2-(4-Methoxyphenyl)acetohydrazide, Oprea1_646909, ARONIS019391, ZINC00084490, ALBB-001038, CID578463, STK026142, 4-Methoxyphenylacetic acid, hydrazide, T5369486

Molecular Formula: C9H12N2O2Molecular Weight: 180.203780 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: BCHPFJXZQWWCCZ-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-POBN
IUPAC Name: 4-aminobenzohydrazide | CAS Registry Number: 5351-17-7
Synonyms: Amben hydrazide, Aminostimil, p-Aminobenzhydrazide, 4-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

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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