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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• Propylene Carbonate

IUPAC Name: 4-methyl-1,3-dioxolan-2-one | CAS Registry Number: 108-32-7
Synonyms: PROPYLENE CARBONATE, Texacar PC, Dipropylene carbonate, 4-Methyldioxalone-2, Arconate 5000, 1,2-Propylene carbonate, Cyclic propylene carbonate, 1-Methylethylene carbonate, 1,2-Propanediol carbonate, 1,2-Propanediyl carbonate, 4-Methyl-1,3-dioxolan-2-one, 1,3-Dioxolan-2-one, 4-methyl-, Cyclic methylethylene carbonate, Propylene carbonate [USAN], 1,2-Propanediol cyclic carbonate, Cyclic 1,2-propylene carbonate, Propylene carbonate (NF), WLN: T5OVOTJ D, Propylene glycol cyclic carbonate, Carbonic acid, propylene ester

Molecular Formula:	C₄H₆O₃	Molecular Weight:	102.088640 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: RUOJZAUFBMNUDX-UHFFFAOYSA-N

• Quisqualic Acid

IUPAC Name: (2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid | CAS Registry Number: 52809-07-1
Synonyms: Quisqualate, QUISQUALIC ACID, (+)-Quisqualic acid, Tocris-0188, 1mm6, 1mm7, 1p1o, Lopac0_001039, MLS001074741, Q2128_SIGMA, C5H7N3O5, PDSP1_000814, PDSP2_000801, NCGC00024489-01, NCGC00024489-02, NCGC00024489-03, NCGC00024489-04, SMR000471890, LS-175398, EU-0101039

Molecular Formula:	C₅H₇N₃O₅	Molecular Weight:	189.126180 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: ASNFTDCKZKHJSW-REOHCLBHSA-N

• R-4-Phenyl-2-oxazolidinone

IUPAC Name: (4R)-4-phenyl-1,3-oxazolidin-2-one | CAS Registry Number: 90319-52-1
Synonyms: 402451_ALDRICH, ZINC00143125, (R)-(-)-4-Phenyl-2-oxazolidinone, TL8005811, (R)-(−)-4-Phenyl-2-oxazolidinone, A00134

Molecular Formula:	C₉H₉NO₂	Molecular Weight:	163.173260 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: QDMNNMIOWVJVLY-QMMMGPOBSA-N

• R-Alpha Lipoic Acid

IUPAC Name: 5-[(3R)-dithiolan-3-yl]pentanoic acid | CAS Registry Number: 1200-22-2
Synonyms: lipoic acid, thioctic acid, lipoate, Heparlipon, Biletan, alpha-Lipoic acid, Thioctacid, Thioctidase, Tioctidasi, Lipothion, Thioctsan, Tioctacid, Liposan, alpha-liponic acid, Thioctanoic acid, (R)-lipoic acid, Protogen A, Thiooctanoic acid, R-Lipoate, R-Lipoic acid

Molecular Formula:	C₈H₁₄O₂S₂	Molecular Weight:	206.325560 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: AGBQKNBQESQNJD-SSDOTTSWSA-N

• R-citalopram

IUPAC Name: (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile | CAS Registry Number: 128196-02-1
Synonyms: Escitalopram, (S)-Citalopram, S(+)-Citalopram, Lexapro, (+)-Citalopram, S-(+)-Citalopram, 128196-01-0, CHEBI:36791, UNII-4O4S742ANY, Seroplex, Escitalopram (INN), Escitalopram [INN], R-Citalopram, (+)-(S)-1-(3-(Dimethylamino)propyl)-1-(p-fluorophenyl)-5-phthalancarbonitrile, 5-Isobenzofurancarbonitrile, 1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydro-, (1S)-, Esertia (TN), Spectrum_001401, Tocris-1427, AC1L3TGW, Spectrum2_000551

Molecular Formula:	C₂₀H₂₁FN₂O	Molecular Weight:	324.391943 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: WSEQXVZVJXJVFP-FQEVSTJZSA-N

• rac 7-Hydroxy Efavirenz

IUPAC Name: 6-chloro-4-(2-cyclopropylethynyl)-7-hydroxy-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one | CAS Registry Number: 205754-50-3
Synonyms: CHEMBL346356, 6-chloro-4-(2-cyclopropylethynyl)-7-hydroxy-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one, 6-chloro-4-(cyclopropylethynyl)-7-hydroxy-4-(trifluoromethyl)-1,4-dihydro-2h-3,1-benzoxazin-2-one, rac7-HydroxyEfavirenz, AC1LAGGD, AC1Q4K2J, CTK4E4583, AR-1H1322, RT-015351, FT-0669575, 2H-3,1-Benzoxazin-2-one, 6-chloro-4-(cyclopropylethynyl)-1,4-dihydro-7-hydroxy-4-(trifluoromethyl)-, 2H-3,1-Benzoxazin-2-one,6-chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-7-hydroxy-4-(trifluoromethyl)-, 6-Chloro-4-(cyclopropylethynyl)-1,4-dihydro-7-hydroxy-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one

Molecular Formula:	C₁₄H₉ClF₃NO₃	Molecular Weight:	331.674370 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: GZMDZAYFVCXHFM-UHFFFAOYSA-N

• S-4-Isopropyl-2-oxazolidinone

IUPAC Name: (4S)-4-propan-2-yl-1,3-oxazolidin-2-one | CAS Registry Number: 17016-83-0
Synonyms: 298883_ALDRICH, 59660_FLUKA, ZINC04262265, (4S)-(-)-4-Isopropyl-2-oxazolidinone, TL8001333, (S)-(−)-4-Isopropyl-2-oxazolidinone

Molecular Formula:	C₆H₁₁NO₂	Molecular Weight:	129.157040 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: YBUPWRYTXGAWJX-RXMQYKEDSA-N

• Simvastatin Ammonium Salt

IUPAC Name: azanium;(3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate | CAS Registry Number: 139893-43-9
Synonyms: Simvastatin ammonium salt, Simvastatin acid ammonium salt, SureCN2987588, MolPort-003-850-249, Simvastatin Hydroxy Acid Ammonium Salt, Simvastatin Carboxylic Acid Ammonium Salt, (3S,5S)-Simvastatin Hydroxy Acid Ammonium Salt, (|AR,|AR,1S,2S,6R,8S,8aR)-8-(2,2-Dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-|A,|A-dihydroxy-2,6-dimethyl-1-naphthaleneheptanoic Acid Ammonium Salt, (3S,5S)-8-(2,2-Dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-|A,|A-dihydroxy-2,6-dimethyl-1-naphthaleneheptanoic Acid Ammonium Salt

Molecular Formula:	C₂₅H₄₃NO₆	Molecular Weight:	453.612020 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: FFPDWNBTEIXJJF-OKDJMAGBSA-N

• Sphingosylphosphorylcholine

IUPAC Name: (2-amino-3-hydroxyoctadec-4-enyl) 2-(trimethylazaniumyl)ethyl phosphate | CAS Registry Number: 1670-26-4
Synonyms: Lysosphingomyelin, sphingosylphosphorylcholine, CID5263

Molecular Formula:	C₂₃H₄₉N₂O₅P	Molecular Weight:	464.619321 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: JLVSPVFPBBFMBE-UHFFFAOYSA-N

• Stable Isotopes

• Tamulosin Hydrochloride

IUPAC Name: 5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide hydrochloride | CAS Registry Number: 106463-17-6
Synonyms: Flomax, Urolosin, Secotex, Pradif, Josir, Omnic, Alna, Omic, Omix, Expros, Harnal, Amsulosin hydrochloride, Flomax MR, AlnaOCAS, Flomax (TN), Harnal (TN), TAMSULOSIN HYDROCHLORIDE, Ambap2529, C20H28N2O5S.HCl, YM617

Molecular Formula:	C₂₀H₂₉ClN₂O₅S	Molecular Weight:	444.972660 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	7

InChIKey: ZZIZZTHXZRDOFM-XFULWGLBSA-N

• tert-Butyl (3R,5S)-6-hydroxy 3,5-O-isopropylidene-3,5-dihydroxyhexanoate

IUPAC Name: tert-butyl 2-[(4R,6S)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate | CAS Registry Number: 124655-09-0
Synonyms: (4R-Cis)-6-Hydroxymethyl-2,2-dimethyl-1,3-dioxane-4-acetic acid 1,1-dimethylethyl ester, tert-Butyl (3R,5S)-6-hydroxy-3,5-O-isopropylidene-3,5-dihydroxyhexanoate, Tert-butyl[(4R,6R)-6-hydroxymethyl-1,3-dioxan-4-yl]acetate, (4R-cis)-6-Hydroxymethyl-2,2-dimethyl-1,3-dioxane-4-acetic acid-1,1-dimethyethyl ester, PubChem6169, SureCN247199, KSC174G7J, CTK0H4374, MolPort-003-847-912, ANW-49705, ZINC22001527, AKOS015841510, AKOS015904380, AC-1298, AG-D-52480, RP29279, AK-25336, BR-25336, N707, FT-0602593

Molecular Formula:	C₁₃H₂₄O₅	Molecular Weight:	260.326660 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: CFRUAOXMCVQMFP-ZJUUUORDSA-N

• tert-Butyl [(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl[(4-nitrophenyl)sulfonyl]amino]propyl]carbamate

IUPAC Name: tert-butyl N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate | CAS Registry Number: 191226-98-9
Synonyms: tert-Butyl ((2S,3R)-3-hydroxy-4-(N-isobutyl-4-nitrophenylsulfonamido)-1-phenylbutan-2-yl)carbamate, TERT-BUTYL [(1S,2R)-1-BENZYL-2-HYDROXY-3-[ISOBUTYL[(4-NITROPHENYL)SULFONYL]AMINO]PROPYL]CARBAMATE, SureCN1104908, CTK8C0817, MolPort-003-844-860, ANW-65316, ZINC22050767, AKOS015904187, AM84661, RL02417, AK102873, KB-259920, FT-0662798, I14-16837, [(1S,2R)-1-Benzyl-2-hydroxy-3-[isobutyl[(4-nitro-phenyl)sulfonyl)]amino]propyl]-carbamic Acid tert-Butyl Ester, N-[(1S,2R)-2-Hydroxy-3-[(2-methylpropyl)[(4-nitrophenyl)sulfonyl]amino]-1-(phenylmethyl)propyl]-carbamic Acid 1,1-Dimethylethyl Ester

Molecular Formula:	C₂₅H₃₅N₃O₇S	Molecular Weight:	521.626300 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	8

InChIKey: CQGKCZKCWMWXQP-XZOQPEGZSA-N

• Tert-Butyl[(1S)-1-(2R)-Oxiranyl-2-Phenylethyl] Carbamate

IUPAC Name: tert-butyl N-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethyl]carbamate | CAS Registry Number: 98760-08-8
Synonyms: (2R,3S)-3-(tert-Butoxycarbonyl)amino-1,2-epoxy-4-phenylbutane, (2R,3S)-N-Boc-3-amino-1,2-epoxy-4-phenylbutane, PubChem5823, PubChem5824, (2S,3R)-1,2-Epoxy-3-(Boc-amino)-4-Phenylbutane, KSC486M0D, CTK3I6601, MolPort-003-795-050, ACN-S003334, ACT06761, threo-N-Boc-L-phenylalanine epoxide, AC-132, ANW-43375, SBB062936, ZINC02579350, AKOS015908505, RL06119, RL500-1, AK-37013, KB-01270

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

InChIKey: NVPOUMXZERMIJK-STQMWFEESA-N

• Tetradecanoic-2,2-D2 acid

IUPAC Name: 2,2-dideuteriotetradecanoic acid | CAS Registry Number: 30719-21-2
Synonyms: TETRADECANOIC-2,2-D2ACID

Molecular Formula:	C₁₄H₂₈O₂	Molecular Weight:	230.383244 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: TUNFSRHWOTWDNC-KLTYLHELSA-N

• trans-2-(Phenyl-D5)cyclopropylamine hydrochloride

IUPAC Name: (1R,2S)-2-(2,3,4,5,6-pentadeuteriophenyl)cyclopropan-1-amine;hydrochloride | CAS Registry Number: 107077-98-5
Synonyms: CTK8G3530, trans-Tranylcypromine-d5 Hydrochloride, FT-0673739, rac trans-2-Phenylcyclopropylamine-d5 Hydrochloride, trans 2-(Phenyl-d5)-cyclopropylamine Hydrochloride, trans 2-Amino-1-(phenyl-d5)-cyclopropane Hydrochloride

Molecular Formula:	C₉H₁₂ClN	Molecular Weight:	174.682089 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	1

InChIKey: ZPEFMSTTZXJOTM-KMWRGRSGSA-N

• Uracil-5-D

IUPAC Name: 1H-pyrimidine-2,4-dione | CAS Registry Number: 24897-50-5
Synonyms: uracil, Pirod, Pyrod, 2,4-Pyrimidinediol, Hybar X, 2,4(1H,3H)-Pyrimidinedione, 2,4-Dihydroxypyrimidine, 2,4-Dioxopyrimidine, 2,4-Pyrimidinedione, Urazil, pyrimidine-2,4-diol, Uracil [USAN], Uracil-5-d, Uracil (8CI), Uracil-2-14C, 1ui0, Uracil (JAN/USAN), 1H-Pyrimidine-2,4-dione, CCRIS 3077, bmse000187

Molecular Formula:	C₄H₄N₂O₂	Molecular Weight:	112.086760 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: ISAKRJDGNUQOIC-UHFFFAOYSA-N

• Ursodeoxycholic-2,2,4,4-D4 acid

IUPAC Name: (4R)-4-[(3R,5R,7S,8R,9S,10S,13R,17R)-2,2,4,4-tetradeuterio-3,7-dihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid | CAS Registry Number: 347841-46-7
Synonyms: [2H4]-Ursodiol, [2H4]-Ursodeoxycholic Acid

Molecular Formula:	C₂₄H₄₀O₄	Molecular Weight:	396.596647 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: RUDATBOHQWOJDD-RADQSFQKSA-N

• Ursodeoxycholic-24-13C acid

IUPAC Name: (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid | CAS Registry Number: 63296-46-8
Synonyms: [13C]-Ursudiol, [13C]- Ursodeoxycholic Acid

Molecular Formula:	C₂₄H₄₀O₄	Molecular Weight:	393.564655 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: RUDATBOHQWOJDD-GFKJCODUSA-N

• Vitamin K1

IUPAC Name: 2-methyl-3-(3,7,11,15-tetramethylhexadec-2-enyl)naphthalene-1,4-dione | CAS Registry Number: 12001-79-5
Synonyms: phytonadione, Phylloquinone, Phytomenadione, Phytylmenadione, Phyllochinon, 3-Phytylmenadione, VITAMIN K, alpha-Phylloquinone, Vitamin K (generic), VITAMIN K1, Antihemorrhagic vitamin, Phythyl-menadion (GERMAN), 2', 3'-trans-Vitamin K1, EINECS 234-408-7, 2-Methyl-3-phythyl-1,4-naphthochinon, 2-Methyl-3-phytyl-1,4-naphthoquinone, DB01022, LS-162266, 2-METHYL-3-PHYTYL-14-NAPHTHOQUINONE, D014812

Molecular Formula:	C₃₁H₄₆O₂	Molecular Weight:	450.695740 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: MBWXNTAXLNYFJB-UHFFFAOYSA-N

• Vitamin K1 2,3-epoxide

IUPAC Name: 1a-methyl-7a-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphtho[2,3-b]oxirene-2,7-dione | CAS Registry Number: 25486-55-9
Synonyms: Vitamin K1 oxide, Vitamin K epoxide, 2,3-Epoxyphylloquinone, Vitamin K1, epoxide, Phylloquinone, epoxide, Vitamin K 2,3-epoxide, Phylloquinone-2,3-epoxide, (2,3-Epoxyphytyl)menaquinone, CHEBI:177881, CID5280845, C05849, 23-EPOXY-23-DIHYDRO-2-METHYL-14-NAPHTHOQ, 2,3-Epoxy-2,3-dihydro-2-methyl-3-phytyl-1,4-naphthoquinone, 1,4-Naphthoquinone,2,3-epoxy-2,3-dihydro-2-methyl-3-phytyl-2,3-Epoxyphylloquinone, 1a-Methyl-7a-(3,7,11,15-tetramethyl-hexadec-2-enyl)-1a,7a-dihydro-1-oxa-cyclopropa[b]naphthalene-2,7-dione, Naphth[2,3-b]oxirene-2,7-dione, 1a,7a-dihydro-1a-methyl-7a-(3,7,11,15-tetramethyl-2-hexadecenyl)-, Naphth[2,3-b]oxirene-2,7-dione,1a,7a-dihydro-1a-methyl-7a-(3,7,11,15-tetramethyl-2-hexadecenyl)-Phylloquinone oxide

Molecular Formula:	C₃₁H₄₆O₃	Molecular Weight:	466.695140 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: KUTXFBIHPWIDJQ-LKUDQCMESA-N

• Vitamin K3

IUPAC Name: 2-methylnaphthalene-1,4-dione | CAS Registry Number: 58-27-5
Synonyms: menadione, Thyloquinone, Kayquinone, Menaphthone, Kappaxin, Klottone, Panosine, Kayklot, Kolklot, Kanone, Kipca, menaquinone, Menaphthon, Prokayvit, Aquinone, Kaergona, Kappaxan, Menadion, Mitenone, Aquakay

Molecular Formula:	C₁₁H₈O₂	Molecular Weight:	172.180020 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: MJVAVZPDRWSRRC-UHFFFAOYSA-N

• Vitamins

IUPAC Name: 2-methyl-3-(3-methylbut-2-enyl)naphthalene-1,4-dione

Molecular Formula:	C₁₆H₁₆O₂	Molecular Weight:	240.297040 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: ABSPRNADVQNDOU-UHFFFAOYSA-N

• Z-Lys(Boc)-OH

IUPAC Name: (4S)-4-(phenylmethyl)-1,3-oxazolidin-2-one | CAS Registry Number: 90719-32-7
Synonyms: (S)-4-Benzyl-2-oxazolidinone, 294640_ALDRICH, 13616_FLUKA, CID736225, ZINC00156419, ZINC04284392, SB 02020, TL8005821, InChI=1/C10H11NO2/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12

Molecular Formula:	C₁₀H₁₁NO₂	Molecular Weight:	177.199840 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: OJOFMLDBXPDXLQ-VIFPVBQESA-N

• Zonisamide

IUPAC Name: 1,2-benzoxazol-3-ylmethanesulfonamide | CAS Registry Number: 68291-97-4
Synonyms: zonisamide, Zonegran, Exceglan, Excegram, Excegran, Tremode, Trerief, Zonisamidum [Latin], Zonisamida [Spanish], Excegran (TN), Zonisamide (ZNS), C8H8N2O3S, HSDB 7293, MLS001195632, MLS001306491, Zonisamide (JAN/USAN/INN), AD-810, CI-912, Zonisamide [USAN:BAN:INN:JAN], 1,2-Benzisoxazole-3-methanesulfonamide

Molecular Formula:	C₈H₈N₂O₃S	Molecular Weight:	212.225720 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: UBQNRHZMVUUOMG-UHFFFAOYSA-N

• 4,5-Dimethoxy-1,2-phenylenediamine dihydrochloride

IUPAC Name: 4,5-dimethoxybenzene-1,2-diamine;dihydrochloride | CAS Registry Number: 131076-14-7
Synonyms: 4,5-dimethoxybenzene-1,2-diamine dihydrochloride, 4,5-DIMETHOXY-1,2-PHENYLENEDIAMINE DIHYDROCHLORIDE, 4,5-dimethoxybenzene-1,2-bis(aminium) dichloride, AC1Q3AKE, ACMC-1C0PE, SureCN546210, AGN-PC-00KEE6, CTK3J6939, MolPort-016-634-179, ANW-72127, AKOS015910577, AK-55071, EN300-51147, 4,5-dimethoxybenzene-1,2-diamine;dihydrochloride, A806195, I14-40051

Molecular Formula:	C₈H₁₄Cl₂N₂O₂	Molecular Weight:	241.114960 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	4

InChIKey: ORAAOAMEUMZGGU-UHFFFAOYSA-N

• (2S,3S)-trans-3-(Carboxymethyl)azetidine-2-acetic acid

IUPAC Name: (2S,3S)-3-(2-oxido-2-oxoethyl)azetidin-1-ium-2-carboxylate | CAS Registry Number: 185387-36-4
Synonyms: ZINC04262470, CID7157246

Molecular Formula:	C₆H₈NO₄-	Molecular Weight:	158.132020 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: FQUPICCTRPWMDZ-UCORVYFPSA-M

• (R)-Styrene oxide

IUPAC Name: (2R)-2-phenyloxirane | CAS Registry Number: 20780-53-4
Synonyms: R-Phenyloxirane, (R)-Phenyloxirane, (R)-(+)-Styrene oxide, R-STYRENE OXIDE, (R)-(Epoxyethyl)benzene, (2R)-2-phenyloxirane, (R)-()-Phenyloxirane, (R)-()-Styrene oxide, (R)-Phenylethylene oxide, Oxirane, phenyl-, (2R)-, CCRIS 4093, MLS001066357, Benzene, (epoxyethyl)-, (R)-, 540099_ALDRICH, 78880_FLUKA, CHEBI:45389, ZINC00901251, LS-30064, LS-30065, SMR000471848

Molecular Formula:	C₈H₈O	Molecular Weight:	120.148520 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: AWMVMTVKBNGEAK-QMMMGPOBSA-N

• (S)-Styrene oxide

IUPAC Name: (2S)-2-phenyloxirane | CAS Registry Number: 20780-54-5
Synonyms: S-Phenyloxirane, 2-Phenyloxirane, S-(Epoxyethyl)benzene, Phenylethylene oxide, oxirane, 2-phenyl-, (2S)-2-phenyloxirane, (S)-(+)-Styrene oxide, (S)-Phenylethylene oxide, CCRIS 4094, Benzene, (epoxyethyl)-, (S)-, 540102_ALDRICH, CHEBI:51014, (S)-(−)-Phenyloxirane, (S)-(−)-Styrene oxide, ZINC00901249, LS-30066, LS-30067, TL8001718, BENZENE,(1,2-EPOXY-ETHYL) STYRENE OXIDE, 96-09-3

Molecular Formula:	C₈H₈O	Molecular Weight:	120.148520 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: AWMVMTVKBNGEAK-MRVPVSSYSA-N

• (S)-2-Bromo-3-phenylpropionic acid

IUPAC Name: (2S)-2-bromo-3-phenylpropanoic acid | CAS Registry Number: 35016-63-8
Synonyms: (S)-2-bromo-3-phenylpropanoic acid, PubChem10725, 00031_FLUKA, CTK4H3416, 3-Phenyl-2(S)-bromopropionic Acid, (S)-alpha-Bromobenzenepropanoic acid, ANW-58306, L-|A-Bromo-|A-phenylpropionic Acid, (L)-2-Bromo-3-phenylpropionic Acid, (2S)-2-bromo-3-phenylpropanoic acid, AKOS015951391, Benzenepropanoic acid, a-bromo-, (aS)-, AK-84532, R761, (2S)-2-bromanyl-3-phenyl-propanoic acid, AB1009596, KB-211196, A822505, |A-Chloro-3-fluorotoluene; 1-Chloromethyl-3-fluorobenzene

Molecular Formula:	C₉H₉BrO₂	Molecular Weight:	229.070560 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: WDRSCFNERFONKU-QMMMGPOBSA-N

• 2-Mercaptobutyric acid

IUPAC Name: 2-sulfanylbutanoic acid | CAS Registry Number: 26473-48-3
Synonyms: 2-MERCAPTOBUTYRIC ACID, Butanoic acid, mercapto-, AGN-PC-00BJBQ, Butanoic acid,2-mercapto-, CTK4F7954, AKOS010616564, AG-E-83365, KB-173419, Butyricacid, 2-mercapto- (7CI,8CI);2-Mercaptobutyric acid;a-Mercaptobutyric acid;butanoic acid, 2-mercapto-;Ethyl mercaptoacetic acid;

Molecular Formula:	C₄H₈O₂S	Molecular Weight:	120.170120 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: CFPHMAVQAJGVPV-UHFFFAOYSA-N

• (S)-(-)-2-Methyl-2-propanesulfinamide

IUPAC Name: 2-methylpropane-2-sulfinamide | CAS Registry Number: 343338-28-3
Synonyms: (s)-2-methylpropane-2-sulfinamide, (S)-(-)-tert-Butanesulfinamide, (S)-(-)-t-Butylsulfinamide, (S)-(-)-tert-Butylsulfinamide, (s)-2-methyl-2-propanesulfinamide, (S)-tert-butanesulfinamide, (R)-tert-Butanesulfinamide, (r)-2-methylpropane-2-sulfinamide, PubChem6057, s-tert-butylsulfinamide, KSC222E9D, (s)-(-)-t-butyl sulfinamide, 513210_ALDRICH, Jsp002696, Ambap146374-27-8, CTK1C2291, (S)-(-)-tert-Butyl sulfinamide, MolPort-002-501-425, (s)-(-)-tert-butyl sulphinamide, ACN-S003974

Molecular Formula:	C₄H₁₁NOS	Molecular Weight:	121.201240 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: CESUXLKAADQNTB-ZETCQYMHSA-N

• 1,2-Dichloropropane

IUPAC Name: 1,2-dichloropropane | CAS Registry Number: 78-87-5
Synonyms: Propylene chloride, Propylene dichloride, Dwuchloropropan, Dichloropropanes, Nemex, Propane, 1,2-dichloro-, Vidden D, D-d Mixture, DICHLOROPROPANE, 1,2-DICHLOROPROPANE, Caswell No. 324, Propylene Chlor ide, Dwuchloropropan [Polish], alpha,beta-Dichloropropane, Bichlorure de propylene, RCRA waste no. U083, RCRA waste number U083, Dichloropropane, 1,2-, Hydrocarbons, C3, chloro, CCRIS 951

Molecular Formula:	C₃H₆Cl₂	Molecular Weight:	112.985740 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: KNKRKFALVUDBJE-UHFFFAOYSA-N

• 1,1-Dichlorethane

IUPAC Name: 1,1-dichloroethane | CAS Registry Number: 75-34-3
Synonyms: Ethylidene chloride, 1,1-DICHLOROETHANE, Ethane, 1,1-dichloro-, Ethylidene dichloride, 1,2-dichloroethane, Dichloroethane, 1,1-, 1,1-Ethylidene dichloride, alpha,alpha-Dichloroethane, Aethylidenchlorid [German], Chlorinated hydrochloric ether, RCRA waste no. U076, RCRA waste number U076, HSDB 64, 1,1-Dichloorethaan [Dutch], 1,1-Dichloraethan [German], 1,1-Dicloroetano [Italian], CCRIS 224, Chlorure d'ethylidene [French], Cloruro di etilidene [Italian], 48512_SUPELCO

Molecular Formula:	C₂H₄Cl₂	Molecular Weight:	98.959160 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: SCYULBFZEHDVBN-UHFFFAOYSA-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

• (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

• 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

• (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