Medical Isotopes, Inc.

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Profile: Medical Isotopes, Inc. manufactures stable isotope chemicals labeled with deuterium, C15, N15, O18 and metal isotopes. We offer deuterated vitamins and oxygen-18 water. We also deal with custom synthesis. We specialize in multi-step custom synthesis for pharmaceutical companies, government, research facilities and hospitals.

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• (+)-(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:	C₁₆H₂₄O₁₄	Molecular Weight:	440.353360 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	14

InChIKey: FZERLKNAJSFDSQ-DDHJBXDOSA-N

• 5alpha-Pregnan-3alpha-ol-20-one

IUPAC Name: 1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone | CAS Registry Number: 516-54-1
Synonyms: Allopregnanolone, Allopregnalone, 3alpha-OH-DHP, 3-alpha-OH DHP, Allotetrahydroprogesterone, Allopregnan-3alpha-ol-20-one, 3a,5a-THP, 3-alpha,5-alpha-Pregnanolone, Biomol-NT_000266, P8887_SIGMA, BPBio1_000728, CHEBI:50169, MolPort-003-892-356, 3-alpha-Hydroxy-5-alpha-pregnan-20-one, 5alpha pregnan 3alpha ol 20 one, 3-alpha,5-alpha-Tetrahydroprogesterone, C21H34O2, CID92786, BRN 3211363, LMST02030156

Molecular Formula:	C₂₁H₃₄O₂	Molecular Weight:	318.493460 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: AURFZBICLPNKBZ-SYBPFIFISA-N

• (S)-(-)-6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride

IUPAC Name: 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;hydrochloride | CAS Registry Number: 82586-62-7
Synonyms: 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride, 1,2,3,4-Tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic acid hydrochloride, 6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid hydrochloride, 30740-95-5, 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochoride, PubChem18220, SureCN7221546, CTK3E8039, (S)-6,7-Dimethoxy-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid hydrochloride, MolPort-002-054-157, AA253, ACN-S002400, AKOS015846107, AB26768, AG-C-07376, AG-F-01706, AC-16712, KB-44498, KB-73770, KB-247411

Molecular Formula:	C₁₂H₁₆ClNO₄	Molecular Weight:	273.712740 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: ROWPWZMWICGKBY-UHFFFAOYSA-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:	1	H-Bond Acceptor:	4

InChIKey: KRKRAOXTGDJWNI-DMTCNVIQSA-M

• (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:	C₁₂H₁₄N₂O₂	Molecular Weight:	218.251760 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: GMHKMTDVRCWUDX-GFCCVEGCSA-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:	C₃H₃F₃O₃	Molecular Weight:	144.049330 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: BVKGUTLIPHZYCX-SFOWXEAESA-N

• 2-Enevalproic Acid

IUPAC Name: (E)-2-propylpent-2-enoic acid | CAS Registry Number: 60218-41-9
Synonyms: 2-En-valproic acid, delta2-Valproic acid, trans-2-en-Vpa, 2-ene-valproate, delta2,3 Vpe, 2-envalproic acid, trans-2-en-Valproate, delta-2(E)-Valproate, E-2-en-Valproic acid, 2-enVPA, 2-Ene-VPA, trans-2-Ene-valproic acid, E-delta(2)-Valproic acid, (E)-2-Ene-valproic acid, 2-Propyl-2-pentenoic acid, (E)-2-en-VPA, trans-2-EN-valproic acid, (E)-2-ene valproic acid, 2-n-Propylpent-2-enoic acid, 2-Pentenoic acid, 2-propyl-

Molecular Formula:	C₈H₁₄O₂	Molecular Weight:	142.195560 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: ZKNJEOBYOLUGKJ-FNORWQNLSA-N

• (S)-Tert-Butyl 1-Phenylbut-3-En-2-Ylcarbamate

IUPAC Name: tert-butyl N-(1-phenylbut-3-en-2-yl)carbamate | CAS Registry Number: 107202-43-7
Synonyms: ACMC-20eplb, (S)-tert-Butyl 1-phenylbut-3-en-2-ylcarbamate, AGN-PC-00Q0DI, SureCN1207885, Carbamic acid,N-[(1S)-1-(phenylmethyl)-2-propen-1-yl]-, 1,1-dimethylethyl ester, Carbamic acid, [1-(phenylmethyl)-2-propenyl]-, 1,1-dimethylethyl ester

Molecular Formula:	C₁₅H₂₁NO₂	Molecular Weight:	247.332740 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: WNAHEVXTGAEKIY-UHFFFAOYSA-N

• 2-Bromo-2-propylpentanoic acid ethyl ester

IUPAC Name: ethyl 2-bromo-2-propylpentanoate | CAS Registry Number: 99174-91-1
Synonyms: 2-BROMO-2-PROPYLPENTANOIC ACID ETHYL ESTER, CTK5I0260, Ethyl 2-Bromo-2-propylpentanoate, ZINC02578843, AG-I-01112, 2-Bromo-2-propylvaleric Acid Ethyl Ester, KB-168725, FT-0663860

Molecular Formula:	C₁₀H₁₉BrO₂	Molecular Weight:	251.160660 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: XCMXLQNYBNGQAY-UHFFFAOYSA-N

• 1,3-Dichloro-2-Propanol

IUPAC Name: 1,3-dichloropropan-2-ol | CAS Registry Number: 96-23-1
Synonyms: Dichlorohydrin, Enodrin, Gdch, Dichloropropanol, 1,3-Dichlorohydrin, Propylene dichlorohydrin, .alpha.-Dichlorohydrin, 1,3-DICHLORO-2-PROPANOL, 2-Propanol, 1,3-dichloro-, sGQDLHbqBRwUP@, 1,3-Dichloroisopropanol, 1,3-Dichloropropanol, alpha-Dichlorohydrin, s-Glycerol dichlorohydrin, 1,3-Dichloropropan-2-ol, Propanol, dichloro-, Glycerol 1,3-dichlorohydrin, s-Dichloroisopropyl alcohol, Sym-glycerol dichlorohydrin, Sym-dichloroisopropyl alcohol

Molecular Formula:	C₃H₆Cl₂O	Molecular Weight:	128.985140 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: DEWLEGDTCGBNGU-UHFFFAOYSA-N

• 5-Amino-3,7-dimethylxanthine

IUPAC Name: 1-amino-3,7-dimethylpurine-2,6-dione | CAS Registry Number: 81281-47-2
Synonyms: NSC367963, CID339843, ZINC13212050

Molecular Formula:	C₇H₉N₅O₂	Molecular Weight:	195.178660 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: NAVLIYUAMBPQRQ-UHFFFAOYSA-N

• (2s, 6r)-6-amino-2-(2-thienyl)-1,4-thiazepan

IUPAC Name: (2S,6R)-6-amino-2-thiophen-2-yl-1,4-thiazepan-5-one | CAS Registry Number: 110221-26-6
Synonyms: (2S,6R)-6-amino-2-(2-thienyl)-1,4-thiazepan-5-one, (2S,6R)-6-amino-2-(thiophen-2-yl)-1,4-thiazepan-5-one, 6-Amino-2-thiophen-2-yl-[1,4]thiazepan-5-one, (2S,6R)-6-Amino-5-oxo-2-(2-thienyl)perhydro-1,4-thiazepine, PubChem10603, CTK0H4443, MolPort-003-844-573, BH006, ACT08759, ANW-44825, FC0006, RW2421, SBB070594, SC3641, AKOS015918385, AC-4304, AG-D-27509, MB06253, AK-25290, KB-62739

Molecular Formula:	C₉H₁₂N₂OS₂	Molecular Weight:	228.334380 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: JIKPFDXBWSSTCF-XPUUQOCRSA-N

• 5-Amino-3-bromo-2-methoxypyridine

IUPAC Name: 5-bromo-6-methoxypyridin-3-amine | CAS Registry Number: 53242-18-5
Synonyms: 5-bromo-6-methoxypyridin-3-amine, SBB070410, AG-F-82388, PubChem1147, ACMC-1AVXC, SureCN1558307, CTK4J7308, MolPort-001-770-379, 5-bromo-6-methoxy-3-pyridylamine, 3-Pyridinamine,5-bromo-6-methoxy-, 5-Bromo-6-methoxypyridin-3-amine;, ANW-31667, ZINC08698190, 5-bromo-6-methoxy-pyridin-3-ylamine, AKOS005258391, LS20553, RP04395, AK-35515, KB-41578, N236

Molecular Formula:	C₆H₇BrN₂O	Molecular Weight:	203.036580 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: YWYVVGOHQBANQI-UHFFFAOYSA-N

• (1S,2S,5S)-(-)-2-Hydroxy-3-pinanone

IUPAC Name: (1S,4S,5S)-4-hydroxy-4,6,6-trimethylbicyclo[3.1.1]heptan-3-one | CAS Registry Number: 1845-25-6
Synonyms: (1S,2S,5S)-2-Hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one, PubChem18160, SureCN5935443, Jsp003782, CTK4D8755, MolPort-005-935-427, AC-514, ANW-23203, ZINC00391091, AKOS015855324, AKOS015900077, AK115339, KB-205423, FT-0670009, H0863, I14-10176, (1S,2S,5S)-(-)-2-Hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one

Molecular Formula:	C₁₀H₁₆O₂	Molecular Weight:	168.232840 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: VZRRCQOUNSHSGB-BYULHYEWSA-N

• 1,2,6,7 tetrahydro-8H-Indeno (5,4b) furan-8-one

IUPAC Name: 1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-one | CAS Registry Number: 196597-78-1
Synonyms: 1,2,6,7-Tetrahydro-8H-indeno[5,4-b]furan-8-one, PubChem19180, tetrahydroindenobfuranone, SureCN338965, CTK4E1994, MolPort-005-943-019, ANW-44868, SBB088904, ZINC22005756, AKOS005073523, AG-E-43574, MCULE-8614569003, MD-0210, RP10620, 1,2-dihydroindano[5,4-b]furan-8-one, AK-40396, AM803455, KB-10029, AB1008484, 1H,2H,6H,7H-indeno[5,4-b]furan-8-one

Molecular Formula:	C₁₁H₁₀O₂	Molecular Weight:	174.195900 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: ZZUIZMWFNOKNLN-UHFFFAOYSA-N

• (R)-(-)-3-Quinuclidinol

IUPAC Name: (8R)-1-azabicyclo[2.2.2]octan-8-ol | CAS Registry Number: 25333-42-0
Synonyms: Quinuclidinol, 3-Quinuclidinol l-form, (R)-Quinuclidin-3-ol, CID91404, EINECS 246-857-6

Molecular Formula:	C₇H₁₃NO	Molecular Weight:	127.184220 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: IVLICPVPXWEGCA-ZETCQYMHSA-N

• (r)-2-Bromobutanoic Acid (CAS: 2681-94-0)

• 2,3,4,5-Tetrahydro-1h-1,4-Benzodiazepin-3-One

IUPAC Name: 1,2,4,5-tetrahydro-1,4-benzodiazepin-3-one | CAS Registry Number: 168080-43-1
Synonyms: 1,2,4,5-Tetrahydro-benzo[e][1,4]diazepin-3-one, 1,2,4,5-tetrahydro-3h-1,4-benzodiazepin-3-one, PubChem2017, SureCN5193435, CTK4D2859, ACT09085, ZINC12650570, AKOS006286894, AG-A-10157, AG-E-17419, KB-09990, FT-0674964, 2,3,4,5-Tetrahydro-1H-1,4-benzodiazepin-3-one, 2,3,4,5-Tetrahydro-1H-1,4-benzodiazepin-3-one;, 3H-1,4-Benzodiazepin-3-one,1,2,4,5-tetrahydro-, I14-35990

Molecular Formula:	C₉H₁₀N₂O	Molecular Weight:	162.188500 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: YDCUQJVYYWANPZ-UHFFFAOYSA-N

• 1,3-Bis(Benzyloxy)-2-Propanol

IUPAC Name: 1,3-bis(phenylmethoxy)propan-2-ol | CAS Registry Number: 6972-79-8
Synonyms: 1,3-Di-O-benzylglycerol, 1,3-Dibenzyloxy-2-propanol, NCIOpen2_002568, 1,3-Bis(benzyloxy)-2-propanol, 288489_ALDRICH, NSC62583, CID247614, ZINC00388495, 2-Propanol, 1,3-bis(phenylmethoxy)-, B-3280

Molecular Formula:	C₁₇H₂₀O₃	Molecular Weight:	272.338900 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: ARLSYSVVBAMYKA-UHFFFAOYSA-N

• (2s,3s)-1,2-epoxy-3-(boc-amino)-4-phenylbutane, Registry

IUPAC Name: tert-butyl N-[(1S)-1-[(2S)-oxiran-2-yl]-2-phenylethyl]carbamate | CAS Registry Number: 98737-29-2
Synonyms: (2S,3S)-1,2-Epoxy-3-(Boc-amino)-4-phenylbutane, (2S,3S)-N-t-Boc-3-amino-1,2-epoxy-4-phenylbutane, (2S,3S)-1,2-Epoxy-3-(tert-butoxycarbonylamino)-4-phenylbutane, tert-Butyl ((S)-1-((S)-oxiran-2-yl)-2-phenylethyl)carbamate, 286019-82-7, tert-Butyl [(S)-1-[(S)-Oxiran-2-yl]-2-phenylethyl]carbamate, Tert-butyl N-[(1S)-1-[(2S)-oxiran-2-yl]-2-phenyl-ethyl]carbamate, tert-Butyl [S-(R, KSC523O6B, 476951_ALDRICH, CTK4C3760, 143688-65-7, ACT02842, ANW-40956, ZINC02567352, AKOS015894820, AG-D-86388, AG-L-62739, BD23336, LS30114

Molecular Formula:	C₁₅H₂₁NO₃	Molecular Weight:	263.332140 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: NVPOUMXZERMIJK-QWHCGFSZSA-N

• (2s, 3s)-3-amino-2-methyl-4-oxoazetidine-1-sulfonic Acid

IUPAC Name: (2S,3S)-3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid | CAS Registry Number: 80082-65-1
Synonyms: 3-Amino-4-methylmonobactamic acid, EINECS 279-393-8, (2S-trans)-3-Amino-2-methyl-4-oxoazetidine-1-sulphonic acid

Molecular Formula:	C₄H₈N₂O₄S	Molecular Weight:	180.182320 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: ISUIVWNWEDIHJD-HRFVKAFMSA-N

• 3-(4-Hydroxyphenyl)-2-hydroxypropanoic acid

IUPAC Name: 2-hydroxy-3-(4-hydroxyphenyl)propanoic acid | CAS Registry Number: 306-23-0
Synonyms: HPLA, 4-Hydroxyphenyllactic acid, p-Hydroxyphenyllactate, p-Hydroxyphenyl lactic acid, 4-Hydroxyphenyllactate, 3-(4-Hydroxyphenyl)lactic acid, dl-p-Hydroxyphenyllactic acid, Lactic acid, (p-hydroxyphenyl)-, Lactic acid, 3-(p-hydroxyphenyl)-, beta-(p-Hydroxyphenyl)lactic acid, 3-(4-Hydroxyphenyl)lactate, beta-(4-Hydroxyphenyl)lactic acid, (p-Hydroxyphenyl)lactic acid, H3253_SIGMA, WLN: QVY1 & OR DQ, CHEBI:17385, CID9378, 2-Hydroxy-3-(p-hydroxyphenyl)propionic acid, alpha,4-Dihydroxybenzenepropanoic acid, NSC 111175

Molecular Formula:	C₉H₁₀O₄	Molecular Weight:	182.173300 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: JVGVDSSUAVXRDY-UHFFFAOYSA-N

• 3,5-Oxazolidinedicarboxylic acid, 2,2-dimethyl-4-phenyl-, 3-(1,1-dimethylethyl) ester, (4S,5R)-

IUPAC Name: (4S,5R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-1,3-oxazolidine-5-carboxylic acid | CAS Registry Number: 143527-70-2
Synonyms: (4S,5R)-3-(tert-Butoxycarbonyl)-2,2-dimethyl-4-phenyloxazolidine-5-carboxylic acid, SureCN286796, Jsp002556, CTK8B6068, MolPort-003-845-241, ANW-52397, SBB063406, AKOS015838260, AKOS015888976, AM84394, AK-25421, BR-25421, KB-70249, Q745, FT-0647934, (4S,5R)-3,5-Oxazolidinedicarboxylic acid-2,2-dimethyl-4-phenyl-3-(1,1-dimethylethyl)ester, (4S,5R)-3-(tert-butoxycarbonyl)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-5-carboxylic acid, (4S,5R)-3,5-Oxazolidinedicarboxylic acid, 2,2-dimethyl-4-phenyl-3-(1,1-dimethylethyl)ester, 3,5-Oxazolidinedicarboxylic acid,2,2-dimethyl-4-phenyl-,3-(1,1-dimethylethyl)ester,(4S,5R)-

Molecular Formula:	C₁₇H₂₃NO₅	Molecular Weight:	321.368220 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: VAHXMEZCPGHDBJ-QWHCGFSZSA-N

• 2,6-Benzothiazolediamine, 4,5,6,7-tetrahydro-, (6S)-

IUPAC Name: (6S)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine | CAS Registry Number: 106092-09-5
Synonyms: (s)-4,5,6,7-tetrahydro-2,6-benzothiazolediamine, (S)-4,5,6,7-Tetrahydro-benzothiazole-2,6-diamine, (s)-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine, (S)-2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole, AG-D-20340, (6S)-4,5,6,7-Tetrahydro-1,3-benzothiazol-2,6-diamine, (6S)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine, 2,6-benzothiazolediamine, 4,5,6,7-tetrahydro-, (6s)-, S-(-)-2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole, PubChem14626, PubChem14627, UNII-J4N3Y41JML, 2,6-Benzothiazolediamine,4,5,6,7-tetrahydro-, (6S)-, KSC504I0B, Pramipexole related compound A, Jsp000560, CTK4A4400, MolPort-002-499-492, ACT07187, ANW-52357

Molecular Formula:	C₇H₁₁N₃S	Molecular Weight:	169.247340 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: DRRYZHHKWSHHFT-BYPYZUCNSA-N

• (S)-(-)-Thalidomide

IUPAC Name: 2-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione | CAS Registry Number: 841-67-8
Synonyms: (-)-Thalidomide, l-Thalidomide, thalidomide, Thalidomide, L-, S-(-)-Thalidomide, Tocris-0652, Lopac-T-144, MLS001333073, MLS001333074, CHEBI:442014, NSC 91730, CID92142, ZINC01530947, CAS-50-35-1, NCGC00015989-01, NCGC00016220-01, NCGC00024708-01, SMR000857221, LS-109465, Phthalimide, N-(2,6-dioxo-3-piperidyl)-, (-)-

Molecular Formula:	C₁₃H₁₀N₂O₄	Molecular Weight:	258.229500 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: UEJJHQNACJXSKW-VIFPVBQESA-N

• 2,4-Heptadien-1-Ol

IUPAC Name: (2E,4E)-hepta-2,4-dien-1-ol | CAS Registry Number: 33467-79-7
Synonyms: 2,4-Heptadien-1-ol, (E,E)-2,4-Heptadien-1-ol, 00146_FLUKA, ZINC02560463, 2,4-Heptadien-1-ol, (E,E)-, EINECS 251-535-3, (2E,4E)-Hepta-2,4-dien-1-ol, 2,4-Heptadien-1-ol, (2E,4E)-, CID5367391

Molecular Formula:	C₇H₁₂O	Molecular Weight:	112.169580 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: MDRZSADXFOPYOC-VNKDHWASSA-N

• 1,2:5,6-Di-O-Isopropylidene-Alpha-D-Ribo-3-Hexulofuranose

IUPAC Name: 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one | CAS Registry Number: 2847-00-9
Synonyms: NSC623655, AIDS131381, AIDS-131381, CID360941, 5-(2,2-Dimethyl-[1,3]dioxolan-4-yl)-2,2-dimethyl-dihydro-furo[2,3-d][1,3]dioxol-6-one

Molecular Formula:	C₁₂H₁₈O₆	Molecular Weight:	258.267720 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: QSRFRZJIRAOQSJ-UHFFFAOYSA-N

• (S)-(-)-3-Chloro-1-phenyl-1-propanol

IUPAC Name: (1S)-3-chloro-1-phenylpropan-1-ol | CAS Registry Number: 100306-34-1
Synonyms: (S)-3-Chloro-1-phenylpropan-1-ol, (S)-3-Chloro-1-phenyl-1-propanol, (1S)-3-chloro-1-phenylpropan-1-ol, AG-D-04994, (S)-(-)-alpha-(2-Chloroethyl)benzyl alcohol, alpha-(2-Chloroethyl)benzyl alcohol, ZINC00160291, PubChem6275, AC1MCS2Q, SureCN1200943, 324612_ALDRICH, CTK3J8753, MolPort-001-761-226, ACT03209, ANW-14227, (S)-(-)-3-Chloro-1-phenylpropanol, (S)-3-Chloro-1-phenyl-propan-1-ol, AKOS015850603, AK-31989, BP-13234

Molecular Formula:	C₉H₁₁ClO	Molecular Weight:	170.636040 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: JZFUHAGLMZWKTF-VIFPVBQESA-N

• 6-(4-Aminophenyl)-4,5-dihydro-5-methyl-3(2H)pyridazinone

IUPAC Name: (4R)-3-(4-aminophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one | CAS Registry Number: 101328-85-2
Synonyms: (r)-6-(4-aminophenyl)-4,5-dihydro-5-methyl-3(2h)-pyridazinone, OR-1855, 3(2H)-Pyridazinone, 6-(4-aminophenyl)-4,5-dihydro-5-methyl-, (R)-, SureCN5681256, 3(2H)-Pyridazinone,6-(4-aminophenyl)-4,5-dihydro-5-methyl-, (5R)-, CTK3J9693, MolPort-003-844-584, AC-070, OR1855, SBB070413, ZINC05141586, AKOS015889656, AG-D-07930, OR 1855, AK-56460, KB-03344, TL8000087, (5R)-6-(4-Aminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone, (R)-6-(4-Aminophenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one, 3(2H)-Pyridazinone,6-(4-aminophenyl)-4,5-dihydro-5-methyl-, (R)-;OR 1855;(R)-6-(4-Aminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone;

Molecular Formula:	C₁₁H₁₃N₃O	Molecular Weight:	203.240420 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: GDMRFHZLKNYRRO-SSDOTTSWSA-N

• (S)-4-(4-Aminobenzyl)-1,3-oxazolidin-2-one

IUPAC Name: (4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one | CAS Registry Number: 152305-23-2
Synonyms: (S)-4-(4-Aminobenzyl)-2(1H)-oxazolidinone, (S)-4-(4-Aminobenzyl)-2-oxazolidinone, (S)-4-(4-aminobenzyl)oxazolidin-2-one, (4S)-4-[(4-Aminophenyl)methyl]-2-oxazolidinone, (S)-4-(4-AMINO-BENZYL)-OXAZOLIDINE-2-ONE, (S)-4-(4-AMINOBENZYL)-1,3-OXAZOLIDIN-2-ONE, (4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one, (S)-4-(4-Aminobenzyl)-1,3-oxozolidin-2-one, SBB070336, AG-D-99528, (S)-4-(4'-AMINOBENZYL)-1,3-OXAZOLIDIN-2-ONE, (4s)-(4-aminobenzyl)-2-oxazolidine-2-one, 340041-89-6, PubChem7548, AC1OFFG2, SureCN825617, ZTR 5, 658405_ALDRICH, Jsp002933, CTK4C7393

Molecular Formula:	C₁₀H₁₂N₂O₂	Molecular Weight:	192.214480 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: WNAVSKJKDPLWBD-VIFPVBQESA-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:	C₁₄H₁₅NO	Molecular Weight:	213.275000 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: GEJJWYZZKKKSEV-UONOGXRCSA-N

• 2-Fluoro-2-deoxy-D-glucose

IUPAC Name: (2S,3R,4R,5S)-2-fluoro-3,4,5,6-tetrahydroxyhexanal | CAS Registry Number: 29702-43-0
Synonyms: (2S,3R,4R,5S)-2-fluoro-3,4,5,6-tetrahydroxyhexanal

Molecular Formula:	C₆H₁₁FO₅	Molecular Weight:	182.146943 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	6

InChIKey: AOYNUTHNTBLRMT-DPYQTVNSSA-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:	C₆H₁₄O₂	Molecular Weight:	118.174160 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: OHMBHFSEKCCCBW-WDSKDSINSA-N

• (2-Carboxyethyl)tripheylphosphonium Chloride

IUPAC Name: 2-carboxyethyl(triphenyl)phosphanium chloride | CAS Registry Number: 36626-29-6
Synonyms: NSC165227, ST5407520

Molecular Formula:	C₂₁H₂₀ClO₂P	Molecular Weight:	370.809061 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: GALLWJZTZYJVSL-UHFFFAOYSA-N

• (1S,2S,3R,6S)-6Amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol hydrochloride

IUPAC Name: (1S,2S,3R,6S)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol | CAS Registry Number: 38231-86-6
Synonyms: Valienamine, CID193758, 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL, ACI, (1R,2R,3S,6R)-6-AMINO-4-(HYDROXYMETHYL)CYCLOHEX-4-ENE-1,2,3-TRIOL, 4-Cyclohexene-1,2,3-triol, 6-amino-4-(hydroxymethyl)-, (1S-(1alpha,2beta,3alpha,6alpha))-, ADH, CMN, CYL, HMC

Molecular Formula:	C₇H₁₃NO₄	Molecular Weight:	175.182420 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	5

InChIKey: XPHOBMULWMGEBA-VZFHVOOUSA-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:	C₁₀H₁₃ClO₃	Molecular Weight:	216.661420 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: PAXWODJTHKJQDZ-VHSXEESVSA-N

• (R)-(-)-Propanediol

IUPAC Name: (2R)-propane-1,2-diol | CAS Registry Number: 4254-14-2
Synonyms: (R)-Propylene glycol, D-1,2-propanediol, (R)-1,2-Propanediol, R-1,2-PROPANEDIOL, (R)-Propane-1,2-diol, 2,3-PROPANDIOL, (2R)-propane-1,2-diol, 540242_ALDRICH, 82284_FLUKA, CHEBI:28972, CID1030, CPD-8891, NSC90793, ZINC00895318, (R)-(−)-Propylene glycol, (R)-(−)-Propylene glycerol, (R)-(−)-1,2-Propanediol, TL8003024, C02912, PGR

Molecular Formula:	C₃H₈O₂	Molecular Weight:	76.094420 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: DNIAPMSPPWPWGF-GSVOUGTGSA-N

• 2-(3-Pyridyl)piperidine

IUPAC Name: 3-[(2S)-piperidin-2-yl]pyridine | CAS Registry Number: 494-52-0
Synonyms: Anabasine, Neonicotine, Neonikotin, Anabasin, Anabazin, (-)-Anabasine, (S)-anabasine, S-(-)-Anabasine, Tocris-1971, CHEBI:74, 2-(3'-Pyridyl) piperidine, L-3-(2'-Piperidyl)pyridine, Piperidine, 2-(3-pyridyl)-, Pyridine, 3-(2-piperidyl)-, WLN: T6NJ C- BT6MTJ, ZERO/001717, (-)-2-(3'-Pyridyl)piperidine, 3-[(2S)-piperidin-2-yl]pyridine, NSC87504, CID205586

Molecular Formula:	C₁₀H₁₄N₂	Molecular Weight:	162.231560 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: MTXSIJUGVMTTMU-JTQLQIEISA-N

• 5-Aminoindole

IUPAC Name: 1H-indol-5-amine | CAS Registry Number: 5192-03-0
Synonyms: 1H-Indol-5-amine, Indol-5-ylamine, 5-Indolamine, Indole, 5-amino-, A59654_ALDRICH, NSC61452, 08245_FLUKA, CHEBI:33067, CID78867, EINECS 225-977-2, NSC 61452, SBB004219, ZINC00153906, SDCCGMLS-0066200.P001, TL8003435, A-5640

Molecular Formula:	C₈H₈N₂	Molecular Weight:	132.162520 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: ZCBIFHNDZBSCEP-UHFFFAOYSA-N

• (R)(-)-1-Phenyl-1,2-Ethanediol

IUPAC Name: (1S)-1-phenylethane-1,2-diol | CAS Registry Number: 16355-00-3
Synonyms: ()-Styrene glycol, 1-phenylethane-1,2-diol, 1-Phenyl-1,2-ethanediol, 1,2-Ethanediol, 1-phenyl-, (S)-()-Phenylethylene glycol, 302155_ALDRICH, TE5119, ZINC00391852, (S)-()-1-Phenyl-1,2-ethanediol, 93-56-1, InChI=1/C8H10O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8-10H,6H

Molecular Formula:	C₈H₁₀O₂	Molecular Weight:	138.163800 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: PWMWNFMRSKOCEY-MRVPVSSYSA-N

• (S)-(+)-2,2-Dimethyl-5-Oxo-1,3-Dioxolane-4-Acetic Acid

IUPAC Name: 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate | CAS Registry Number: 73991-95-4
Synonyms: ZINC00388621, CID6950259

Molecular Formula:	C₇H₉O₅-	Molecular Weight:	173.143360 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: IDQOCLIWDMZKBZ-BYPYZUCNSA-M

• 7,12-Dihydroxycholest-4-en-3-one

IUPAC Name: (7R,8R,9S,10R,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one | CAS Registry Number: 1254-03-1
Synonyms: CHEBI:28477, LMST04030114, ZINC13543181, CID3081958, 4-cholesten-7alpha,12alpha-diol-3-one, 7alpha,12alpha-Dihydroxy-5-cholesten-3-one, 7alpha,12alpha-Dihydroxycholest-4-en-3-one, Cholest-4-en-3-one, 7,12-dihydroxy-, (7alpha,12alpha)-

Molecular Formula:	C₂₇H₄₄O₃	Molecular Weight:	416.636460 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: UQPYXHJTHPHOMM-NIBOIBLTSA-N

• 1-Bromododecane-D25

IUPAC Name: 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosadeuteriododecane | CAS Registry Number: 204259-66-5
Synonyms: Lauryl bromide-d25, 1-Bromododecane-d25, 487511_ALDRICH, AKOS015913093, I14-47114

Molecular Formula:	C₁₂H₂₅Br	Molecular Weight:	274.384944 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: PBLNBZIONSLZBU-VVZIYBSUSA-N

• 25-Hydroxycholesterol

IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol | CAS Registry Number: 2140-46-7
Synonyms: Cholest-5-ene-3beta,25-diol, 5-Cholestene-3beta,25-diol, (3beta)-cholest-5-en-3-ol, 25-Hydroxycholest-5-en-3-ol, CHEBI:42977, AIDS080407, AIDS-080407, CID65094, CPD-7285, LMST01010018, DB04705, (3BETA)-CHOLEST-5-ENE-3,25-DIOL, NCGC00181327-01, C15519, HC3, (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Molecular Formula:	C₂₇H₄₆O₂	Molecular Weight:	402.652940 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: INBGSXNNRGWLJU-ZHHJOTBYSA-N

• 17beta-Estradiol-2,4,16,16,17-D5

IUPAC Name: (8R,9S,13S,14S,17S)-2,4,16,16,17-pentadeuterio-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3,17-diol | CAS Registry Number: 221093-45-4
Synonyms: 17|A-Estradiol-2,4,16,16,17-d5

Molecular Formula:	C₁₈H₂₄O₂	Molecular Weight:	277.412769 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: VOXZDWNPVJITMN-MOKSCAJFSA-N

• (24S)-24,25-Epoxycholestero

IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol | CAS Registry Number: 77058-74-3
Synonyms: Spectrum5_001979, 24(S),25-Epoxycholesterol, 24(S), 25-epoxycholesterol, CHEBI:386965, 24,25(S)-EPOXYCHOLESTEROL, LMST01010012, CID3247059, C15632, 17-[3-(3,3-DIMETHYL-OXIRANYL)-1-METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-OL, (3S,8S,9S,10R,13R,14S,17R)-17-((R)-4-((S)-3,3-dimethyloxiran-2-yl)butan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol, CO1

Molecular Formula:	C₂₇H₄₄O₂	Molecular Weight:	400.637060 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: OSENKJZWYQXHBN-XVYZBDJZSA-N

• 2-Despiperidyl-2-(5-carboxypentylamine) Repaglinide

IUPAC Name: 4-[2-[[1-[2-(4-carboxybutylamino)phenyl]-3-methylbutyl]amino]-2-oxoethyl]-2-ethoxybenzoic acid | CAS Registry Number: 874908-12-0
Synonyms: 4-[2-[[1-[2-[(4-CARBOXYBUTYL)AMINO]PHENYL]-3-METHYLBUTYL]AMINO]-2-OXOETHYL]-2-ETHOXYBENZOIC ACID, Repaglinide M2 metabolite, CTK5F8545, AG-H-53123, FT-0666264, Benzoic acid,4-[2-[[1-[2-[(4-carboxybutyl)amino]phenyl]-3-methylbutyl]amino]-2-oxoethyl]-2-ethoxy-

Molecular Formula:	C₂₇H₃₆N₂O₆	Molecular Weight:	484.584540 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	7

InChIKey: ZOMBGPVQRXZSGW-UHFFFAOYSA-N

• 1-Methylnaphthalene-D10

IUPAC Name: 1,2,3,4,5,6,7-heptadeuterio-8-(trideuteriomethyl)naphthalene | CAS Registry Number: 38072-94-5
Synonyms: 1-Methylnaphthalene-d10, 377317_ALDRICH, AKOS015912543, FT-0639430, I14-47425

Molecular Formula:	C₁₁H₁₀	Molecular Weight:	152.258718 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: QPUYECUOLPXSFR-UZHHFJDZSA-N

• 2-Chloro-4-ethylpyridine

IUPAC Name: 2-chloro-4-ethylpyridine | CAS Registry Number: 40325-11-9
Synonyms: 2-chloro-4-ethylpyridine, 2-chloro-4-ethyl-pyridine, AC1MTPFJ, Pyridine,2-chloro-4-ethyl-, CTK4I2881, MolPort-003-845-826, ANW-61914, ZINC22054545, AKOS006285819, AG-F-42909, AK-77070, KB-169696, FT-0664694

Molecular Formula:	C₇H₈ClN	Molecular Weight:	141.598120 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: WCZPTMALUBBXRK-UHFFFAOYSA-N

• 2-Acetamido-1-amino-1,2-dideoxy-beta-D-glucopyranose

IUPAC Name: N-[(2R,3S,4R,5S)-2-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide | CAS Registry Number: 4229-38-3
Synonyms: 2-Acetamido-2-deoxy-beta-D-glucosylamine, CTK8F4028, AG-F-50389, Glucopyranosylamine,2-acetamido-2-deoxy-, b-D- (8CI);2-Acetamido-2-deoxy-b-D-glucopyranosylamine;

Molecular Formula:	C₈H₁₆N₂O₅	Molecular Weight:	220.223040 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	6

InChIKey: MCGXOCXFFNKASF-XUQKIGAKSA-N