AstaTech, Inc.

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Profile: AstaTech, Inc. is engaged in the production of key pharmaceutical intermediates and active pharmaceutical ingredients. We provide pharmaceutical, biotech, agrochemical and specialty chemicals. We offer advanced and novel intermediates for the pharmaceutical, biotech and agrochemical sectors. Our products include building blocks, novel amines, protected amines, unnatural amino acids, ketones, aldehydes, heterocycles, isatoic anhydrides, boronic acids and chiral intermediates. We deal with semi bulk intermediates, bulk intermediates, and drug raw materials & their intermediates.

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• Atorvastatin Calcium

IUPAC Name: calcium (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate | CAS Registry Number: 134523-03-8
Synonyms: Lipitor, atorvastatin, Prevencor, Lipibec, Torvast, Caduet, Sortis, Tahor, Mixture Name, ATORVASTATIN CALCIUM, Lipitor (TN), Atorvastatin calcium salt, Atorvastatin calcium [USAN], Atorvastatin calcium (USAN), 2C33H34FN2O5.Ca, CI-981, DRG-0321, CHEBI:50686, BB_SC-4721, YM-548

Molecular Formula:	C₆₆H₆₈CaF₂N₄O₁₀	Molecular Weight:	1155.341726 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	14

InChIKey: FQCKMBLVYCEXJB-MNSAWQCASA-L

• Aziridine, 2-(phenylmethyl)-, (2R)-

IUPAC Name: (2R)-2-benzylaziridine | CAS Registry Number: 77184-95-3
Synonyms: (R)-2-Benzylaziridine, (r)-2-benzyl-aziridine, AG-H-08458, CTK5E3991, FC0758, AKOS006346237, Aziridine,2-(phenylmethyl)-, (2R)-, AK-77479, KB-02840, Aziridine,2-(phenylmethyl)-, (R)- (9CI);, I01-9419

Molecular Formula:	C₉H₁₁N	Molecular Weight:	133.190340 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: LKQAJXTWYDNYHK-SECBINFHSA-N

• Benzenebutanoic acid, ß-amino-2-fluoro-, (ßR)-

IUPAC Name: (3R)-3-amino-4-(2-fluorophenyl)butanoic acid | CAS Registry Number: 735256-11-8
Synonyms: (R)-3-Amino-4-(2-fluoro-phenyl)-butyric acid, (R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOIC ACID, AG-G-90874, AC1NWJDT, (R)-3-AMINO-4-(2-FLUOROPHENYL)BUTYRIC ACID, SureCN978945, (3R)-3-amino-4-(2-fluorophenyl)butanoic Acid, CTK5D8110, AKOS006289483, AK139908, Benzenebutanoic acid, b-amino-2-fluoro-, (bR)-

Molecular Formula:	C₁₀H₁₂FNO₂	Molecular Weight:	197.206183 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: CTZJKXPNBFSWAK-MRVPVSSYSA-N

• Benzeneethanol, .Alpha.-Phenyl-.Beta.-[(phenylmethyl)amino]-, (.Alpha.R,.Beta.S)-

IUPAC Name: (1R,2S)-2-(benzylamino)-1,2-diphenylethanol | CAS Registry Number: 153322-11-3
Synonyms: (1R,2S)-N-Benzyl-2-amino-1,2-diphenylethanol, (1R,2S)-2-(benzylamino)-1,2-diphenylethanol, AC1MBTYO, SureCN13191170, CTK4C7803, ZINC19944854, AG-E-00903, KB-205324, (2s,1r)-1,2-diphenyl-2-[benzylamino]ethan-1-ol

Molecular Formula:	C₂₁H₂₁NO	Molecular Weight:	303.397540 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: KKJGAZRIFJEPKA-LEWJYISDSA-N

• Benzenemethanamine, 2-bromo-a-methyl-, (R)-

IUPAC Name: (1R)-1-(2-bromophenyl)ethanamine | CAS Registry Number: 113974-24-6
Synonyms: (R)-1-(2-Bromophenyl)ethylamine, (1R)-1-(2-bromophenyl)ethanamine, AC1M84EP, SureCN1345820, CTK5J1781, MolPort-005-313-370, (R)-1-(2-Bromophenyl)ethanamine, AC1Q2983, AG-A-01019, AK114068, KB-75036, (R)-1-(2-BROMO-PHENYL)-ETHYLAMINE, Benzenemethanamine,2-bromo-a-methyl-,(aR)-, EN300-87759, I14-36844

Molecular Formula:	C₈H₁₀BrN	Molecular Weight:	200.075700 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: DSAXBVQQKYZELF-ZCFIWIBFSA-N

• Benzenemethanamine, 4-bromo-2-fluoro-a-methyl-, (aR)-

IUPAC Name: (1R)-1-(4-bromo-2-fluorophenyl)ethanamine | CAS Registry Number: 845930-79-2
Synonyms: (R)-1-(4-Bromo-2-fluorophenyl)ethanamine, SureCN9947727, CTK8B4831, ACT10400, ANW-46449, AKOS015917034, AK-86167, KB-75064, W8737, S01-0776, Benzenemethanamine,4-bromo-2-fluoro-a-methyl-,(aR)-

Molecular Formula:	C₈H₉BrFN	Molecular Weight:	218.066163 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: BRPFKIPSXUHGSH-RXMQYKEDSA-N

• Benzenepropanoic Acid, .Beta.-Amino-4-(phenylmethoxy)-, (.Beta.R)-

IUPAC Name: (3R)-3-amino-3-(4-phenylmethoxyphenyl)propanoic acid | CAS Registry Number: 218608-77-6
Synonyms: (r)-3-(p-benzyloxyphenyl)-beta-alanine, (r)-3-amino-3-(4-benzyloxy-phenyl)-propionic acid, AC1LDNJN, SureCN5720973, (R)-A-(p-Benzyloxyphenyl)alanine, (r)-beta-(p-benzyloxyphenyl)alanine, AKOS010394727, (r)-3-amino-3-(4-benzyloxyphenyl)propionic acid, (3R)-3-amino-3-(4-phenylmethoxyphenyl)propanoic acid, (3r)-3-amino-3-[4-(phenylmethoxy)phenyl]propanoic acid

Molecular Formula:	C₁₆H₁₇NO₃	Molecular Weight:	271.311080 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: VODMAXQPPKRFPS-OAHLLOKOSA-N

• Benzenepropanoic acid, 2-chloro-ß-[[(1,1-dimethylethoxy)carbonyl]amino]-, (ßR)-

IUPAC Name: (3R)-3-(2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid | CAS Registry Number: 500789-05-9
Synonyms: (R)-N-Boc-2-Chloro-beta-phenylalanine, Boc-(R)-3-Amino-3-(2-chloro-phenyl)-propionic acid, (R)-3-((tert-Butoxycarbonyl)amino)-3-(2-chlorophenyl)propanoic acid, (R)-3-tert-Butoxycarbonylamino-3-(2-chloro-phenyl)-propionic acid, (3R)-3-[(TERT-BUTOXY)CARBONYLAMINO]-3-(2-CHLOROPHENYL)PROPANOIC ACID, AC1MC5L4, CTK4J3723, MolPort-003-794-250, ACT09776, BOC-PHG(2-CL)-(C*CH2)OH, AB15240, AG-F-72608, AK114944, KB-209992, TL80073794, Boc-S-3-Amino-3-(2-chloro-phenyl)-propionic acid, BOC-(R)-3-AMINO-3-(2-CHLORO-PHENYL)-PROPANOIC ACID, N-BETA-(T-BUTOXYCARBONYL)-2-CHLORO-L-BETA-HOMOPHENYLGLYCINE, (R)-3-(TERT-BUTOXYCARBONYLAMINO)-3-(2-CHLOROPHENYL)PROPANOIC ACID, (3R)-3-(2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Molecular Formula:	C₁₄H₁₈ClNO₄	Molecular Weight:	299.750020 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: JBKHFGREKMCWAU-LLVKDONJSA-N

• Benzenepropanoic acid, 3-bromo-ß-[[(1,1-dimethylethoxy)carbonyl]amino]-, (ßR)-

IUPAC Name: (3R)-3-(3-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid | CAS Registry Number: 501015-16-3
Synonyms: (R)-N-Boc-3-Bromo-beta-phenylalanine, Boc-(R)-3-Amino-3-(3-bromo-phenyl)-propionic acid, (R)-3-(3-Bromo-phenyl)-3-tert-butoxycarbonylamino-propionic acid, (R)-3-(3-Bromophenyl)-3-((tert-butoxycarbonyl)amino)propanoic acid, AC1MC5LV, CTK4J2140, MolPort-003-794-268, BOC-D-BETA-PHE(3-BR)-OH, ACT09777, BOC-PHG(3-BR)-(C*CH2)OH, AKOS012536368, AB15251, AG-F-68175, AK114947, (R)-BOC-3-BROMO-BETA-PHENYLALANINE, KB-210032, TL80073821, Boc-R-3-Amino-3-(3-bromo-phenyl)-propionic acid, Boc-(S)-3-Amino-3-(3-bromophenyl)-propionic acid, (R)-3-(BOC-AMINO)-3-(3-BROMOPHENYL)PROPIONIC ACID

Molecular Formula:	C₁₄H₁₈BrNO₄	Molecular Weight:	344.201020 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: UTYRIGRZLZNTLR-LLVKDONJSA-N

• Benzenepropanoic acid, ß-amino-2-chloro-, (ßR)-

IUPAC Name: (3R)-3-amino-3-(2-chlorophenyl)propanoic acid | CAS Registry Number: 740794-79-0
Synonyms: (3r)-3-amino-3-(2-chlorophenyl)propanoic acid, (r)-3-amino-3-(2-chloro-phenyl)-propionic acid, (r)-3-(2-chlorophenyl)-beta-alanine, h-phg(2-cl)-(c*ch2)oh, (r)-3-amino-3-(2-chlorophenyl)propanoic acid, (r)-beta-(2-chlorophenyl)alanine, R-3-Amino-3-(2-chloro-phenyl)-propionic acid, benzenepropanoic acid, beta-amino-2-chloro-, (betar)-, 68444-01-9, AC1LELIP, h-d-beta-phe(2-cl)-oh, AC1Q3P7M, SureCN5720969, (R)-A-(2-Chlorophenyl)alanine, CTK7I5286, MolPort-002-501-495, KST-1A7549, ALPHACHIRON 749682A878, AR-1A4298, AKOS010394083

Molecular Formula:	C₉H₁₀ClNO₂	Molecular Weight:	199.634200 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: NXXFYRJVRISCCP-MRVPVSSYSA-N

• Benzenepropanoic acid, ß-amino-3-methyl-, (ßR)-

IUPAC Name: (3R)-3-amino-3-(3-methylphenyl)propanoic acid | CAS Registry Number: 748128-33-8
Synonyms: (r)-3-(m-tolyl)-beta-alanine, (3R)-3-amino-3-(3-methylphenyl)propanoic acid, h-d-beta-phe(3-me)-oh, (r)-3-amino-3-(3-methyl-phenyl)-propionic acid, (r)-3-amino-3-m-tolyl-propionic acid, h-phg(3-me)-(c*ch2)oh, R-3-Amino-3-(3-methyl-phenyl)-propionic acid, (R)-beta-(m-Tolyl)alanine, (r)-3-amino-3-(3-methyl-phenyl)-propanoic acid, benzenepropanoic acid, beta-amino-3-methyl-, (betar)-, AC1MC5NV, SureCN3510648, CTK7I5279, ACT10178, ALPHACHIRON 757016A426, ANW-47903, AB17753, AG-A-07323, (R)-3-METHYL-BETA-PHENYLALANINE, 3-METHYL-L-BETA-HOMOPHENYLGLYCINE

Molecular Formula:	C₁₀H₁₃NO₂	Molecular Weight:	179.215720 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: HMLYKNGYKKJNLC-SECBINFHSA-N

• Benzenepropanoic acid, ß-amino-4-chloro-, (ßR)-

IUPAC Name: (3R)-3-amino-3-(4-chlorophenyl)propanoic acid | CAS Registry Number: 131690-61-4
Synonyms: (r)-3-(p-chlorophenyl)-beta-alanine, (r)-beta-4-chlorophenylalanine, (r)-beta-(p-chlorophenyl)alanine, (3R)-3-amino-3-(4-chlorophenyl)propanoic acid, h-d-beta-phe(4-cl)-oh, (R)-3-Amino-3-(4-chloro-phenyl)-propionic acid, h-phg(4-cl)-(c*ch2)oh, (r)-4-chloro-beta-phenylalanine, (r)-3-amino-3-(4-chlorophenyl)propanoic acid, R-3-Amino-3-(4-chloro-phenyl)-propionic acid, benzenepropanoic acid, beta-amino-4-chloro-, (betar)-, PubChem14200, Benzenepropanoic acid, b-amino-4-chloro-, (bR)-, AC1LED0G, SureCN5721009, D-BETA-PHE(4-CL)-OH, (R)-A-(p-Chlorophenyl)alanine, CTK4B7450, MolPort-002-501-489, (r)-b-(p-chlorophenyl)-b-alanine

Molecular Formula:	C₉H₁₀ClNO₂	Molecular Weight:	199.634200 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: BXGDBHAMTMMNTO-MRVPVSSYSA-N

• Benzenepropanoic acid, ß-amino-4-methyl-, (ßR)-

IUPAC Name: (3R)-3-amino-3-(4-methylphenyl)propanoic acid | CAS Registry Number: 479064-87-4
Synonyms: (r)-3-(p-methylphenyl)-beta-alanine, (3r)-3-amino-3-(4-methylphenyl)propanoic acid, (r)-3-amino-3-p-tolyl-propionic acid, R-3-Amino-3-(4-methyl-phenyl)-propionic acid, (r)-3-amino-3-(4-methyl-phenyl)-propionic acid, 68443-95-8, AC1LELIV, PubChem14199, h-d-beta-phe(4-me)-oh, AC1Q5T2N, SureCN3513415, h-phg(4-me)-(c*ch2)oh, (R)-A-(p-Methylphenyl)alanine, (r)-4-methyl-beta-phenylalanine, CTK4J0431, KST-1A7546, (r)-b-(p-methylphenyl)-b-alanine, ACT05181, ANW-47905, AR-1A4303

Molecular Formula:	C₁₀H₁₃NO₂	Molecular Weight:	179.215720 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: XPDAKEOBPKFUAH-SECBINFHSA-N

• Bromomethylcyclopentane

IUPAC Name: bromomethylcyclopentane | CAS Registry Number: 3814-30-0
Synonyms: (bromomethyl)cyclopentane, bromomethylcyclopentane, Cyclopentylmethyl bromide, bromomethyl cyclopentane, BROMOCYCLOPENTYLMETHANE, SBB054968, AG-F-34365, PubChem3104, bromomethyl-cyclopentane, SureCN7846, AC1Q27PO, Cyclopentane,(bromomethyl)-, Jsp006692, CTK4H9384, ANW-45778, CYCLOPENTANE, (BROMOMETHYL)-, FC0705, ZINC32098865, AKOS005260295, AB50196

Molecular Formula:	C₆H₁₁Br	Molecular Weight:	163.055540 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: XYZUWOHEILWUID-UHFFFAOYSA-N

• Butanoic Acid, 2-Hydroxy-3,3-Dimethyl-, (2S)-

IUPAC Name: (2S)-2-hydroxy-3,3-dimethylbutanoic acid | CAS Registry Number: 21641-92-9
Synonyms: (S)-(-)-2-Hydroxy-3,3-dimethylbutyric acid, (S)-2-hydroxy-3,3-dimethylbutanoic acid, (S)-(-)-2-Hydroxy-tert-butylacetic acid, 851866-86-9, 410918_ALDRICH, CTK4E7393, FC0795, AG-E-58559, AK135563, BP-12914, KB-04985, KB-04986, (S)-2-hydroxy-3,3-dimethyl butyric acid, (2S)-2-hydroxy-3,3-dimethylbutanoic acid, (S)-2-hydroxy-3,3-dimethyl butanoic acid, FT-0649060, (2S)-3,3-dimethyl-2-oxidanyl-butanoic acid, Butanoic acid,2-hydroxy-3,3-dimethyl-, (2S)-, A815568, I04-1417

Molecular Formula:	C₆H₁₂O₃	Molecular Weight:	132.157680 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: FWVNWTNCNWRCOU-SCSAIBSYSA-N

• Butanoic acid, 3-amino-, hydrochloride (1:1), (3R)-

IUPAC Name: (3R)-3-aminobutanoic acid;hydrochloride | CAS Registry Number: 58610-42-7
Synonyms: (r)-homo-beta-alanine hydrochloride, (r)-3-amino-butyric acid hydrochloride, (r)-3-amino-butanoic acid hydrochloride, (r)-3-amino-butanoic acid hydrochloride salt, l-beta-homoalanine hcl, beta-homoalanine hydrochloride, d-beta-homoalanine-hcl, h-d-beta-hoala-oh hcl, h-d-ala-(c*ch2)oh hcl, d-beta-homoalanine hydrochloride, (R)-A-Homoalanine hydrochloride, MolPort-002-501-518, (r)-beta-homoalanine hydrochloride, (R)-HOMO-BETA-ALANINE HCL, 5959-33-1, (R)-3-Aminobutanoic acid hydrochloride, RL04208, AK112818, KB-03179, M614

Molecular Formula:	C₄H₁₀ClNO₂	Molecular Weight:	139.580700 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: UHYVVUABAWKTJJ-AENDTGMFSA-N

• Carbamic Acid, N-(hexahydro-2-Oxo-1H-Azepin-3-Yl)-, 1,1-Dimethylethyl Ester

IUPAC Name: tert-butyl N-(2-oxoazepan-3-yl)carbamate | CAS Registry Number: 179686-45-4
Synonyms: (+/-)-N-alpha-Boc-amino-epsilon-caprolactam, tert-butyl N-(2-oxoazepan-3-yl)carbamate, (2-Oxo-azepan-3-yl)-carbamic acid tert-butyl ester, AC1MBUB7, AC1Q1NCA, n-2-boc-aminocaprolactam, SureCN2329779, 3-N-Boc-amino-2-azepanone, KSC950C7P, CTK8F0177, MolPort-002-498-022, n-alpha-boc-amino-epsilon-caprolactam, AKOS012110318, RP27758, tert-butyl (2-oxoazepan-3-yl)carbamate, (+/-)-N-?Boc-Amino-epsilon-caprolactam, AM803389, KB-88628, L-(-)-N-?Boc-Amino-epsilon-caprolactam, FT-0687402

Molecular Formula:	C₁₁H₂₀N₂O₃	Molecular Weight:	228.288100 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: AQKNKAUJTJFUMG-UHFFFAOYSA-N

• Carbamic Acid, N-[(1R)-3-Hydroxy-1-Phenylpropyl]-, 1,1-Dimethylethyl Ester

IUPAC Name: tert-butyl N-[(1R)-3-hydroxy-1-phenylpropyl]carbamate | CAS Registry Number: 158807-47-7
Synonyms: (R)-N-Boc-3-Amino-3-phenyl-propan-1-ol, (R)-N-Boc-3-amino-3-phenylpropan-1-ol, AG-E-08070, BOC-R-3-AMINO-3-PHENYLPROPAN-1-OL, PubChem16121, SureCN56596, (3-Hydroxy-1-phenyl-propyl)-carbamic acid tert-butyl ester, KSC497C1H, CTK3J7113, ACT03119, ANW-47133, AKOS005146405, AKOS015836463, AK-45078, BR-45078, KB-75738, FT-0682399, W3446, I05-1016, tert-butyl N-[(1R)-3-hydroxy-1-phenylpropyl]carbamate

Molecular Formula:	C₁₄H₂₁NO₃	Molecular Weight:	251.321440 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: SMEMODSNLZWKBF-GFCCVEGCSA-N

• Cbz-alcohol

IUPAC Name: benzyl N-[(2R,3S)-4-chloro-3-hydroxy-1-phenylsulfanylbutan-2-yl]carbamate | CAS Registry Number: 159878-02-1
Synonyms: AG-E-09295, (2S,3R)-3-CARBOBENZYLOXYAMINO-1-CHLORO-4-PHENYLTHIO-BUTAN-2-OL, SureCN5329730, CTK4D0251, ZINC16697412, AKOS015891243, AK-59967, A810082, I01-9025, (2S,3R)-N-cbz-3-Amino-1-chloro-4-(phenylthio)butan-2-ol, Benzyl ((2R,3S)-4-chloro-3-hydroxy-1-(phenylthio)butan-2-yl)carbamate, Benzyl (1R,2S)-3-chloro-2-hydroxy-1-(phenylthiomethyl)propylcarbamate, (2S,3R)-1-Chloro-3-[(phenylmethoxy)carbonyl]amino-4-(phenylthio)butan-2-ol, (2S,3R)-1-CHLORO-3-[[(PHENYLMETHOXY)CARBONYL]AMINO]-4-(PHENYLTHIO)BUTAN-2-OL, (phenylmethyl) N-[(2R,3S)-4-chloranyl-3-oxidanyl-1-phenylsulfanyl-butan-2-yl]carbamate, N-[(2R,3S)-4-chloro-3-hydroxy-1-(phenylthio)butan-2-yl]carbamic acid (phenylmethyl) ester, Carbamic acid,N-[(1R,2S)-3-chloro-2-hydroxy-1-[(phenylthio)methyl]propyl]-, phenylmethylester, Carbamicacid, [(1R,2S)-3-chloro-2-hydroxy-1-[(phenylthio)methyl]propyl]-, phenylmethylester (9CI);Carbamic acid, [3-chloro-2-hydroxy-1-[(phenylthio)methyl]propyl]-,phenylmethyl ester, [S-(R*,S*)]-;(2S,3R)-(-)-3-(Benzyloxycarbonylamino)-1-chloro-4-phenylthiobutan-2-ol;(2S,3R)-1-Chloro-2-hydroxy-3-[(benzyloxycarbonyl)amino]-4-(phenylthio)butane;(2S,3R)-3-(N-Benzyloxycarbonyl)amino-1-chloro-4-phenylthiobutan-2-ol;, N-[(1R,2S)-3-Chloro-2-hydroxy-1-[(phenylthio)methyl]propyl]carbamic Acid Phenylmethyl Ester

Molecular Formula:	C₁₈H₂₀ClNO₃S	Molecular Weight:	365.874300 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: YMCLVAZUQJPLTE-DLBZAZTESA-N

• Clindamycin Hydrochloride

IUPAC Name: (2S,4R)-N-[(1S,2S)-2-chloro-1-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide hydrochloride | CAS Registry Number: 21462-39-5
Synonyms: Prestwick_69, Clindamycin hydrochloride, MLS000069765, CID6419884, SMR000058902

Molecular Formula:	C₁₈H₃₄Cl₂N₂O₅S	Molecular Weight:	461.443960 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	6

InChIKey: AUODDLQVRAJAJM-PTTDBYGSSA-N

• Cyclopropanecarboxylic acid, 1-amino-2-ethenyl-, methyl ester, hydrochloride

IUPAC Name: methyl (1R,2S)-1-amino-2-ethenylcyclopropane-1-carboxylate;hydrochloride | CAS Registry Number: 259214-58-9
Synonyms: (1R,2S)-Methyl 1-amino-2-vinylcyclopropanecarboxylate HCl, SureCN1255380, CTK8E8571, KB-76352, S14-2535, (1R,2S)-1-Amino-2-ethenylcyclopropanecarboxylic acid methyl ester hydrochloride, Cyclopropanecarboxylic acid,1-amino-2-ethenyl-,methyl ester,hydrochloride,(1R,2S)-

Molecular Formula:	C₇H₁₂ClNO₂	Molecular Weight:	177.628680 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: LSHLWAMYTKXJPL-HCSZTWNASA-N

• D-alpha-Aminoadipic acid

IUPAC Name: (2R)-2-aminohexanedioic acid | CAS Registry Number: 7620-28-2
Synonyms: D-2-aminoadipic acid, D-Homoglutamic acid, 2-Aminohexanedioic acid, alpha-Aminoadipate, D-, Lopac-A-7275, Hexanedioic acid, 2-amino-, (R)-2-Aminohexanedioic acid, A7400_SIGMA, (2R)-2-aminohexanedioic acid, 285048_ALDRICH, 06654_FLUKA, CHEBI:37025, NCGC00015087-01, 2-Aminohexanedioic acid (-)- and (+)-, Hexanedioic acid, 2-amino-, (-)- and (+)-, 542-32-5, InChI=1/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11

Molecular Formula:	C₆H₁₁NO₄	Molecular Weight:	161.155840 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: OYIFNHCXNCRBQI-SCSAIBSYSA-N

• D-Beta-Phenylalanine

IUPAC Name: (3R)-3-amino-3-phenylpropanoic acid | CAS Registry Number: 13921-90-9
Synonyms: (R)-3-amino-3-phenylpropionic acid, (3R)-3-amino-3-phenylpropanoic acid, (R)-3-amino-3-phenyl-propanoic acid, (R)-beta-phenylalanine, (R)-3-Amino-3-phenyl-propionic acid, AG-D-79101, (R)-3-AMINO-3-PHENYLPROPANOIC ACID, (R)-3-Amino-3-phenylpropanoicAcidHydrochloride, (R)-3-amino-3-phenylpropanoate, d-(-)-3-amino-3-phenylpropionic acid, AmbotzHAA8710, AC1LEIFO, PubChem14014, D-BETA-PHE-OH, SureCN288753, CHEBI:67172, CTK4C1682, ALPHACHIRON 22809A997, ACT05139, ANW-20502

Molecular Formula:	C₉H₁₁NO₂	Molecular Weight:	165.189140 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: UJOYFRCOTPUKAK-MRVPVSSYSA-N

• D-Glutamic Acid, 4-(phenylmethyl)-, (4R)-

IUPAC Name: (2R,4R)-2-amino-4-benzylpentanedioic acid | CAS Registry Number: 402821-16-3
Synonyms: (4R)-4-Benzyl-D-glutamic acid, CTK4I2813, AG-F-42711, (2r,4r)-2-amino-4-benzylpentanedioic acid, (2r,4r)-2-amino-4-benzyl-pentanedioic acid

Molecular Formula:	C₁₂H₁₅NO₄	Molecular Weight:	237.251800 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: ATCFYQUZTYQTJN-NXEZZACHSA-N

• D-Phenylalaninol

IUPAC Name: 2-amino-3-phenylpropan-1-ol | CAS Registry Number: 5267-64-1
Synonyms: L-Phenylalaninol, S-Phenylalaninol, Phenylalaninol, (S)-2-Benzylethanolamine, (S)-beta-Aminobenzenepropanol, Benzenepropanol, beta-amino-, L-2-Amino-3-phenyl-1-propanol, L-2-Amino-3-phenylpropan-1-ol, 2-Amino-3-phenyl-1-propanol, (R)-2-Amino-3-phenylpropanol, EINECS 221-674-4, 1-Propanol, 2-amino-3-phenyl-, L-, NSC20899, EINECS 226-086-1, Benzenepropanol, beta-amino-, (S)-, NSC 20899, NSC133421, Benzenepropanol, .beta.-amino-, (R)-, NCGC00095352-01, (S)-(-)-2-Amino-3-phenyl-1-propanol

Molecular Formula:	C₉H₁₃NO	Molecular Weight:	151.205620 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: STVVMTBJNDTZBF-UHFFFAOYSA-N

• D-Phenylglycine ethyl ester hydrochloride

IUPAC Name: ethyl 2-(2-aminophenyl)acetate hydrochloride | CAS Registry Number: 17609-48-2
Synonyms: EINECS 241-581-2, CID5743382, Ethyl (R)-(amino)phenylacetate hydrochloride

Molecular Formula:	C₁₀H₁₄ClNO₂	Molecular Weight:	215.676660 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: QITKMRXHUSYVSD-UHFFFAOYSA-N

• Dimethyl (R)-(+)-Methylsuccinate

IUPAC Name: dimethyl (2R)-2-methylbutanedioate | CAS Registry Number: 22644-27-5
Synonyms: Dimethyl (R)-(+)-methylsuccinate, Dimethyl (r)-methylsuccinate, (R)Dimethyl-2-methylsuccinate, 382094_ALDRICH, CTK4E9882, NFOQJNGQQXICBY-RXMQYKEDSA-, Dimethyl (R)-(+)-Pyrotartarate, MolPort-003-931-472, (+)-Dimethyl (R)-methylsuccinate, ACT09305, dimethyl (2R)-2-methylbutanedioate, ANW-24928, ZINC02039401, AKOS015840301, KB-49981, P621, (R)-2-Methyl-succinic acid dimethyl ester, (R)-(+)-Pyrotartaric Acid Dimethyl Ester, (R)-(+)-Methylsuccinic Acid Dimethyl Ester, (R)-PYROTARTARIC ACID DIMETHYL ESTER

Molecular Formula:	C₇H₁₂O₄	Molecular Weight:	160.167780 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: NFOQJNGQQXICBY-RXMQYKEDSA-N

• DL-2-(2-Chlorophenyl)glycine

IUPAC Name: 2-amino-2-(2-chlorophenyl)acetic acid | CAS Registry Number: 88744-36-9
Synonyms: ()-2-Chlorophenylglycine, 73187_FLUKA, NSC154921, STK138986, ()-alpha-Amino-2-chlorophenylacetic acid, TL8000917

Molecular Formula:	C₈H₈ClNO₂	Molecular Weight:	185.607620 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: LMIZLNPFTRQPSF-UHFFFAOYSA-N

• Dl-Alpha-Amino-Epsilon-Caprolactam

IUPAC Name: 3-aminoazepan-2-one | CAS Registry Number: 671-42-1
Synonyms: 3-aminoazepan-2-one, 3-Amino-2-azepanone, 3-Aminohexahydro-2H-azepin-2-one, alpha-amino-epsilon-caprolactam, CHEBI:19471, AKE-BBV-098802, l-Alpha-amino-epsilon-caprolactam, 2H-Azepin-2-one, 3-aminohexahydro-, dl-Alpha-amino-epsilon-caprolactam, EINECS 211-584-3, CID102463, NSC522223, D-(+)-.alpha.-Amino-eta-caprolactam, BBV-098802, D-(+)-.alpha.-Amino-.epsilon.-caprolactam, C02837, 17929-90-7

Molecular Formula:	C₆H₁₂N₂O	Molecular Weight:	128.172280 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: BOWUOGIPSRVRSJ-UHFFFAOYSA-N

• Eszopiclone

IUPAC Name: [(7S)-6-(5-chloropyridin-2-yl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate | CAS Registry Number: 138729-47-2
Synonyms: Estorra, Lunesta, Esopiclone, (S)-Zopiclone, Lunivia, (plus)-Zopiclone, ( )-Zopiclone, (+)-Zopiclone, Estorra (TN), Lunesta (TN), Eszopiclone [USAN:INN], Eszopiclone (USAN/INN), MLS001165744, SPECTRUM1505188, HSDB 7472, SEP-190, DB00402, KS-1055, SEP-225441, SEP-0227018

Molecular Formula:	C₁₇H₁₇ClN₆O₃	Molecular Weight:	388.808280 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	7

InChIKey: GBBSUAFBMRNDJC-INIZCTEOSA-N

• Ethyl (R)-(-)-2-hydroxy-4-phenylbutyrate

IUPAC Name: ethyl (2R)-2-hydroxy-4-phenylbutanoate | CAS Registry Number: 90315-82-5
Synonyms: 460826_ALDRICH, 56114_FLUKA, ZINC00395671, (R)-Ethyl-2-Hydroxy-4-Phenylbutyrate, ST5405760, TL8005810, Ethyl (R)-(−)-2-hydroxy-4-phenylbutyrate

Molecular Formula:	C₁₂H₁₆O₃	Molecular Weight:	208.253640 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: ZJYKSSGYDPNKQS-LLVKDONJSA-N

• Ethyl (R)-4-Cyano-3-Hydroxybutanoate

IUPAC Name: ethyl (3R)-4-cyano-3-hydroxybutanoate | CAS Registry Number: 141942-85-0
Synonyms: 479772_ALDRICH, ZINC02562594, ZINC02567777, CID2733879, TL8006150, (R)-4-Cyano-3-hydroxybutyric acid ethyl ester, (R)-(−)-Ethyl 4-cyano-3-hydroxybutyrate, Ethyl (R)-(−)-4-cyano-3-hydroxybutyrate

Molecular Formula:	C₇H₁₁NO₃	Molecular Weight:	157.167140 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: LOQFROBMBSKWQY-ZCFIWIBFSA-N

• Ethyl (S)-nipecotate

IUPAC Name: ethyl (3S)-piperidine-3-carboxylate | CAS Registry Number: 37675-18-6

Molecular Formula:	C₈H₁₅NO₂	Molecular Weight:	157.210200 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: XIWBSOUNZWSFKU-ZETCQYMHSA-N

• Fluvastatin Sodium

IUPAC Name: sodium (E,3S,5S)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoate | CAS Registry Number: 93957-55-2
Synonyms: Lescol, Lescol (TN), FLUVASTATIN SODIUM, Fluvastatin sodium (JAN/USAN), D00892

Molecular Formula:	C₂₄H₂₅FNNaO₄	Molecular Weight:	433.447773 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: ZGGHKIMDNBDHJB-VASWWXHQSA-M

• Formamide,N-[5-[(1R)-2-bromo-1-hydroxyethyl]-2-(phenylmethoxy)phenyl]-

IUPAC Name: N-[5-[(1R)-2-bromo-1-hydroxyethyl]-2-phenylmethoxyphenyl]formamide | CAS Registry Number: 201677-59-0
Synonyms: (R)-N-[5-(2-Bromo-1-hydroxyethyl)-2-(phenylmethoxy)phenyl]formamide, (R)-N-(2-(BENZYLOXY)-5-(2-BROMO-1-HYDROXYETHYL)PHENYL)FORMAMIDE, CTK4E3457, AKOS016009543, AG-E-47595, AK-50710, KB-210426, (R)-N-[2-Benzyloxy-5-(2-bromo-1-hydroxy-ethyl) -phenyl]-formamide, Formamide,N-[5-(2-bromo-1-hydroxyethyl)-2-(phenylmethoxy)phenyl]-, (R)-;

Molecular Formula:	C₁₆H₁₆BrNO₃	Molecular Weight:	350.207140 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: HKSUZIIGCSOMPX-HNNXBMFYSA-N

• Hexanoic Acid, 3-Amino-5-Methyl-, (3R)-

IUPAC Name: 3-amino-5-methylhexanoic acid | CAS Registry Number: 91298-67-8
Synonyms: DL-beta-Homoleucine, 3-Amino-5-methylhexanoic acid, 21625_ALDRICH, 3-amino-5-methyl-hexanoic Acid, 21625_FLUKA, ()-3-Amino-5-methylcaproic acid, ()-3-Amino-5-methylhexanoic acid, ALBB-007476, STK504558, (+/-)-3-Amino-5-methylcaproic acid, CID2733735, (+/-)-3-Amino-5-methylhexanoic acid, TL8002696, 8T-0019

Molecular Formula:	C₇H₁₅NO₂	Molecular Weight:	145.199500 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: MLYMSIKVLAPCAK-UHFFFAOYSA-N

• Irinotecan Free Base

Synonyms: irinotecan, Camptosar, Irinotecanum, (+)-Irinotecan, Irinotecan hydrochloride, Irinotecanum [INN-Latin], Irinotecan [INN:BAN], IRINOTECAN, CPT-11, BSPBio_002346, Bio-0054, CPT-11, HSDB 7607, 1u65, CHEBI:105985, AIDS108177, C33H38N4O6, AIDS-108177, CID60838, NSC728073, DB00762

Molecular Formula:	C₃₃H₃₈N₄O₆	Molecular Weight:	586.678020 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: UWKQSNNFCGGAFS-XIFFEERXSA-N

• L-2-Methylserine

IUPAC Name: (2S)-2-azaniumyl-3-hydroxy-2-methylpropanoate | CAS Registry Number: 16820-18-1
Synonyms: ZINC02042820

Molecular Formula:	C₄H₉NO₃	Molecular Weight:	119.119160 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: CDUUKBXTEOFITR-BYPYZUCNSA-N

• L-Beta-leucine

IUPAC Name: (3R)-3-amino-4-methylpentanoic acid | CAS Registry Number: 75992-50-6
Synonyms: (r)-beta-homovaline, (r)-homo-beta-valine, (r)-3-amino-4-methylpentanoic acid, (3R)-3-amino-4-methylpentanoic acid, (3R)-3-Amino-4-methylvaleric acid, (r)-3-amino-4-methyl-pentanoic acid, (R)-b-homovaline, (R)-A-Homovaline, AmbotzHAA8610, C02486, AC1MC584, CHEBI:15604, MolPort-002-501-516, AKOS006282077, RL04892, AK-45075, KB-63272, I04-1181

Molecular Formula:	C₆H₁₃NO₂	Molecular Weight:	131.172920 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: GLUJNGJDHCTUJY-RXMQYKEDSA-N

• L-Glutamic Acid, 4-(phenylmethyl)-, (4S)-

IUPAC Name: (2S,4S)-2-amino-4-benzylpentanedioic acid | CAS Registry Number: 129446-71-5
Synonyms: (4S)-4-Benzyl-L-glutamic acid, (2s,4s)-2-amino-4-benzylpentanedioic acid, (2S,4S)-4-Benzyl-glutamicacid, L-Glutamic acid,4-(phenylmethyl)-, (4S)-, (2S,4S)-2-amino-4-benzyl-pentanedioic Acid, SureCN2265548, CHEMBL424016, CTK4B6279, CHEBI:375654, AG-D-59947, AK-57206, L-Glutamicacid, 4-(phenylmethyl)-, threo-, A13807

Molecular Formula:	C₁₂H₁₅NO₄	Molecular Weight:	237.251800 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: ATCFYQUZTYQTJN-UWVGGRQHSA-N

• L-Proline, 4-(phenylmethyl)-, Cis- (9CI)

IUPAC Name: (2S,4S)-4-benzylpyrrolidine-2-carboxylic acid | CAS Registry Number: 82087-73-8
Synonyms: (2S,4S)-4-benzylpyrrolidine-2-carboxylic Acid, (4S)-4-Benzyl-L-proline, (2S,4S)-4-Benzyl-pyrrolidine-2-carboxylicacid, (2s,4s)-4-benzyl-pyrrolidine-2-carboxylic acid, SureCN3190846, CHEMBL1778777, CTK5E9402, MolPort-002-499-671, ANW-47990, AKOS015919822, AB42863, AG-H-29000, CIS-4-(PHENYLMETHYL)-L-PROLINE, AK-78954, BR-78954, KB-206837, L-Proline,4-(phenylmethyl)-, cis- (9CI), W8603, L-PROLINE, 4-(PHENYLMETHYL)-, CIS-, A13795

Molecular Formula:	C₁₂H₁₅NO₂	Molecular Weight:	205.253000 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: JQVMMZMKXGQVGQ-QWRGUYRKSA-N

• L-Thiazolidine-4-Carboxylicacid

IUPAC Name: (4R)-1,3-thiazolidine-4-carboxylic acid | CAS Registry Number: 34592-47-7
Synonyms: L-Thioproline, L-Thiaproline, Thiazolidinecarboxylic acid, C4H7NO2S, CCRIS 3646, T27502_ALDRICH, L-Thiazolidine-4-carboxylic acid, T0631_SIGMA, (R)-4-Thiazolidinecarboxylic acid, 4-Thiazolidinecarboxylic acid, L-, L-4-Thiazolidinecarboxylic acid, (4R)-4-Thiazolidinecarboxylic acid, (R)-Thiazolidine-4-carboxylic acid, EINECS 252-106-3, 4-Thiazolidinecarboxylic acid, (R)-, 4-Thiazolidinecarboxylic acid, (4R)-, (R)-(-)-4-Thiazolidinecarboxylic acid, SBB015063, NCGC00166087-01, LS-151163

Molecular Formula:	C₄H₇NO₂S	Molecular Weight:	133.168880 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: DZLNHFMRPBPULJ-VKHMYHEASA-N

• Laburnin

Synonyms: Baptitoxin, Baptitoxine, Cystisine, Cytitone, Sophorin, Sophorine, Tsitizin, Citizin, Cytiton, Cytizin, Ulexine, Ulexin, Tabax, Tabex, CYTISINE, Sophorin (VAN), Cytisine (-), Prestwick_140, BABTITOSINE, Ambap6105

Molecular Formula:	C₁₁H₁₄N₂O	Molecular Weight:	190.241660 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: ANJTVLIZGCUXLD-DTWKUNHWSA-N

• Lovastatin

IUPAC Name: [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate | CAS Registry Number: 75330-75-5
Synonyms: lovastatin, Mevacor, mevinolin, Mevinacor, Lovalord, Monacolin K, Nergadan, Altocor, Lovalip, Artein, Hipovastin, Lovasterol, Altoprev, Cholestra, Closterol, Lestatin, Lipofren, Lovastin, Tecnolip, Teroltrat

Molecular Formula:	C₂₄H₃₆O₅	Molecular Weight:	404.539640 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: PCZOHLXUXFIOCF-BXMDZJJMSA-N

• Methanone, (5-Bromo-2-Pyridinyl)phenyl-

IUPAC Name: (5-bromopyridin-2-yl)-phenylmethanone | CAS Registry Number: 206357-52-0
Synonyms: (5-Bromo-pyridin-2-yl)-phenyl-methanone, (5-bromopyridin-2-yl)(phenyl)methanone, SureCN256768, CTK4E4741, MolPort-002-499-978, ACT09218, ANW-58566, ZINC02541712, (5-bromo-2-pyridinyl)-phenylmethanone, AKOS016003443, AG-E-51405, (5-bromopyridin-2-yl)-phenyl-methanone, (5-Bromopyridin-2-yl)-phenylmethanone;, Methanone,(5-bromo-2-pyridinyl)phenyl-, AK-80081, KB-62905, (5-bromanylpyridin-2-yl)-phenyl-methanone, A814761, S14-2492

Molecular Formula:	C₁₂H₈BrNO	Molecular Weight:	262.102020 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: LTXZWEQLVKTQRI-UHFFFAOYSA-N

• Methanone, [(2R)-2,3-Dihydro-1,4-Benzodioxin-2-Yl]-1-Piperazinyl-

IUPAC Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-piperazin-1-ylmethanone | CAS Registry Number: 860173-98-4
Synonyms: (R)-1,4-Benzodioxan-2-carboxypiperazine, (r)-(2,3-dihydro-benzo[1,4]dioxin-2-yl)-piperazin-1-yl-methanone, (r)-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)(piperazin-1-yl)methanone, AC1LENGF, R-DOXAZOSININTERMEDIATE, CTK5F6189, ZINC19702071, AB29462, AG-H-47040, KB-151279, A-2349, A13362, 1-[(2r)-2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl]piperazine, (r)-(2,3-dihydrobenzo[1,4]dioxin-2-yl)-piperazin-1-yl-methanone, [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-piperazin-1-ylmethanone, Methanone,[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]-1-piperazinyl-, [(2R)-2,3-DIHYDRO-1,4-BENZODIOXIN-2-YL]-1-PIPERAZINYL-METHANONE, Piperazine,1-[[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]carbonyl]- (9CI), METHANONE, [(2R)-2,3-DIHYDRO-1,4-BENZODIOXIN-2-YL]-1-PIPERAZINYL-

Molecular Formula:	C₁₃H₁₆N₂O₃	Molecular Weight:	248.277740 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: FLUPDJNTYCSBJZ-GFCCVEGCSA-N

• Methanone, [(2S)-2,3-Dihydro-1,4-Benzodioxin-2-Yl]-1-Piperazinyl-

IUPAC Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-piperazin-1-ylmethanone | CAS Registry Number: 401941-54-6
Synonyms: (S)-1,4-Benzodioxan-2-carboxypiperazine, (S)-(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-piperazin-1-yl-methanone, (S)-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)(piperazin-1-yl)methanone, (s)-1-(1,4-benzodioxan-2-carboxy)piperazine, AC1LENGC, AC1Q5BE6, CTK8E9762, ZINC19702069, AKOS015963245, AB14864, AC-19568, A-2348, A13363, [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-piperazin-1-ylmethanone, [(2S)-2,3-DIHYDRO-1,4-BENZODIOXIN-2-YL]-1-PIPERAZINYL-METHANONE, METHANONE, [(2S)-2,3-DIHYDRO-1,4-BENZODIOXIN-2-YL]-1-PIPERAZINYL-

Molecular Formula:	C₁₃H₁₆N₂O₃	Molecular Weight:	248.277740 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: FLUPDJNTYCSBJZ-LBPRGKRZSA-N

• Methotrexate

IUPAC Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid | CAS Registry Number: 59-05-2
Synonyms: methotrexate, Amethopterin, Mexate, Rheumatrex, Antifolan, Hdmtx, Methylaminopterin, Amethopterine, Methotextrate, Ledertrexate, Metatrexan, Methopterin, Methotrexat, Metolate, Maxtrex, Folex, Methylaminopterinum, L-Amethopterin, A-Methopterin, A-Methpterin

Molecular Formula:	C₂₀H₂₂N₈O₅	Molecular Weight:	454.439280 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	12

InChIKey: FBOZXECLQNJBKD-ZDUSSCGKSA-N

• Methyl (R)-2-chloropropionate

IUPAC Name: methyl (2R)-2-chloropropanoate | CAS Registry Number: 77287-29-7
Synonyms: Methyl 2-chloropropanoate, CCRIS 7388, 277754_ALDRICH, EINECS 278-658-5, (R)-2-Chloropropanoic acid methyl ester, ZINC02017921, (R)-()-Methyl (R)-2-chloropropionate, Propanoic acid, 2-chloro-, methyl ester, LS-188775, (R)-()-2-Chloropropionic acid methyl ester, InChI=1/C4H7ClO2/c1-3(5)4(6)7-2/h3H,1-2H, 17639-93-9

Molecular Formula:	C₄H₇ClO₂	Molecular Weight:	122.550180 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: JLEJCNOTNLZCHQ-GSVOUGTGSA-N

• Methyl 2-(2-bromo-1H-indol-3-yl)acetate

IUPAC Name: methyl 2-(2-bromo-1H-indol-3-yl)acetate | CAS Registry Number: 1912-35-2
Synonyms: METHYL 2-(2-BROMO-1H-INDOL-3-YL)ACETATE, AG-E-39635, CTK4E0617, ZINC16696608, AKOS015918053, KB-53664, methyl 2-(2-bromanyl-1H-indol-3-yl)ethanoate, 1H-Indole-3-aceticacid, 2-bromo-, methyl ester, A813478, (2-Bromo-1H-indol-3-yl)-acetic acid methyl ester, 2-(2-bromo-1H-indol-3-yl)acetic acid methyl ester, I14-8700, Indole-3-aceticacid, 2-bromo-, methyl ester (7CI,8CI);1H-Indole-3-acetic acid, 2-bromo-, methyl ester;

Molecular Formula:	C₁₁H₁₀BrNO₂	Molecular Weight:	268.106600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: PJILRCSPRGMWLW-UHFFFAOYSA-N