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

• 2-Aminoimidazole sulfate

IUPAC Name: 1H-imidazol-2-amine; sulfuric acid | CAS Registry Number: 1450-93-7
Synonyms: Imidazol-2-ylamine sulphate, Bis(2-amino-1H-imidazole) sulphate, EINECS 215-918-9, EINECS 255-791-7, SBB000224, 42383-61-9

Molecular Formula:	C₃H₇N₃O₄S	Molecular Weight:	181.170380 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	7

InChIKey: LEUJVEZIEALICS-UHFFFAOYSA-N

• (R,R)-1,2-Diaminocyclohexane

IUPAC Name: (1R,2R)-cyclohexane-1,2-diamine | CAS Registry Number: 20439-47-8
Synonyms: (1R,2R)-(-)-1,2-Diaminocyclohexane, (1R,2R)-cyclohexane-1,2-diamine, trans-1,2-Diaminocyclohexane, 1121-22-8, r-dach, (1r,2r)-1,2-diaminocyclohexane, (1R)-trans-1,2-Cyclohexanediamine, (1r,2r)-diaminocyclohexane, rr-diaminocyclohexane, (1R,2R)-(-)-1,2-Cyclohexanediamine, trans-1,2-Cyclohexanediamine, (1R)-(-)-trans-1,2-Diaminocyclohexane, trans-cyclohexane-1,2-diamine, 1R,2R-DIAMINOCYCLOHEXANE, (1R,2R)-1,2-Cyclohexanediamine, ((1R,2R)-2-Aminocyclohexyl)amine, SBB007639, (+/-)-trans-1,2-Diaminocyclohexane, (R,R)-(-)-1,2-Diaminocyclohexane, DNH

Molecular Formula:	C₆H₁₄N₂	Molecular Weight:	114.188760 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: SSJXIUAHEKJCMH-PHDIDXHHSA-N

• (S)-(-)-1,1'-Bi(2-naphthyl)-2,2-diyl hydrogen phosphate [(S)-BNP Acid]

Synonyms: 1,1'-Binaphthyl-2,2'-diyl hydrogenphosphate, 35193-63-6, 39648-67-4, (R)-(-)-1,1'-Binaphthyl-2,2'-diyl hydrogenphosphate, (S)-(+)-1,1'-Binaphthyl-2,2'-diyl hydrogenphosphate, (R)-(-)-1,1'-Binaphthyl-2,2'-diyl hydrogen phosphate, SBB058107, (R)-(-)-2,2'-Dihydroxy-1,1'-binaphthyl Hydrogen Phosphate, (S)-(+)-2,2'-Dihydroxy-1,1'-binaphthyl Hydrogen Phosphate, dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-ol 4-oxide, (+/-)-1,1'-Binaphthyl-2,2'-diyl Hydrogenphosphate, (+/-)-2,2'-Dihydroxy-1,1'-binaphthyl Hydrogenphosphate, (R)-(-)-1,1'-Binaphthalene-2,2'-diyl hydrogen phosphate, (S)-(+)-1,1'-Binaphthalene-2,2'-diyl hydrogen phosphate, (R)-4-Hydroxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-oxide, (S)-4-Hydroxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-oxide, 248932_ALDRICH, 4-hydroxynaphtho[1,2-f]naphtho[2,1-d]1,3,2-dioxaphosphepin-4-one, BNDHP, BNPA

Molecular Formula:	C₂₀H₁₃O₄P	Molecular Weight:	348.288582 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: JEHUZVBIUCAMRZ-UHFFFAOYSA-N

• (R)-(-)-1,1'-Bi(2-naphthyl) -2,2-diyl hydrogen phosphate [(R)-BNP Acid]

Synonyms: ZINC01765619, CID6995688

Molecular Formula:	C₂₀H₁₂O₄P-	Molecular Weight:	347.280641 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: JEHUZVBIUCAMRZ-UHFFFAOYSA-M

• 2-Nitrodiphenylamine

IUPAC Name: 2-nitro-N-phenylaniline | CAS Registry Number: 119-75-5
Synonyms: Nitrodiphenylamine, o-Nitrodiphenylamine, 2-Nitro-N-phenylaniline, Sudan Yellow 1339, Diphenylamine, 2-nitro-, N-Phenyl-o-nitroaniline, o-Nitro-N-phenylaniline, Benzenamine, 2-nitro-N-phenyl-, CCRIS 6075, MLS001004443, MLS002152876, 157171_ALDRICH, EINECS 204-348-6, Diphenylamine, 2-nitro- (8CI), NSC4754, NSC629274, AIDS133477, 2-NITRO-N-PHENYLBENZENAMINE, NSC 105613, AIDS-133477

Molecular Formula:	C₁₂H₁₀N₂O₂	Molecular Weight:	214.220000 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: RUKISNQKOIKZGT-UHFFFAOYSA-N

• 3-Amino-5-methylpyrazole (3,5-AMP)

IUPAC Name: 5-methyl-1H-pyrazol-3-amine | CAS Registry Number: 31230-17-8
Synonyms: 3-Amino-5-methylpyrazole, 5-Methyl-3-pyrazolamine, 5-Amino-3-methylpyrazole, 3-methyl-1H-pyrazol-5-amine, 340200_ALDRICH, ZINC03886974, ALBB-008648, CID93146, SBB004375

Molecular Formula:	C₄H₇N₃	Molecular Weight:	97.118480 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: FYTLHYRDGXRYEY-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

• 1,3-Dibromo Adamantane

IUPAC Name: 1,3-dibromoadamantane | CAS Registry Number: 876-53-9
Synonyms: 1,3-Dibromoadamantane, Ambap3585, Maybridge1_002445, Adamantane, 1,3-dibromo-, NCIOpen2_007028, DivK1c_001197, 403083_ALDRICH, NSC102289, CDS1_000157, ST5052979, EU-0000287, Tricyclo[3.3.1.13,7]decane, 1,3-dibromo-

Molecular Formula:	C₁₀H₁₄Br₂	Molecular Weight:	294.026160 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: HLWZKLMEOVIWRK-UHFFFAOYSA-N

• 2-Amino-5-Nitro Benzophenone

IUPAC Name: (2-amino-5-nitrophenyl)-phenylmethanone | CAS Registry Number: 1775-95-7
Synonyms: 2-Amino-5-nitrobenzophenone, Oprea1_660099, 211737_ALDRICH, EINECS 217-207-9, ZINC03861498, (2-Amino-5-nitrophenyl)phenylmethanone, CID15681, BRN 0748830, SBB000821, METHANONE, (2-AMINO-5-NITROPHENYL)PHENYL-, (2-amino-5-nitrophenyl)(phenyl)methanone, LS-91113, ST5308434, 4-14-00-00246 (Beilstein Handbook Reference)

Molecular Formula:	C₁₃H₁₀N₂O₃	Molecular Weight:	242.230100 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: PZPZDEIASIKHPY-UHFFFAOYSA-N

• 4-Amino-5-Imidazole Carboxamide

IUPAC Name: 4-amino-1H-imidazole-5-carboxamide | CAS Registry Number: 360-97-4
Synonyms: Colahepat, AICA, Diazol-C, Aminoimidazole carboxamide, 5-Aminoimidazole-4-carboxamide, 5-Aminoimidazolecarboxamide, 4-Carbamoyl-5-aminoimidazole, 5-Aminoimidazol-4-carboxamide, 5-Aminoimidazole carboxamide, 4-Amino-5-imidazolecarboxamide, 4-Aminoimidazole-5-carboxamide, 4-Carboxamido-5-aminoimidazole, Ba 2756, MLS000701328, Imidazole C-4,5 deriv. 2, 1H-Imidazole-4-carboxamide, 5-amino-, WLN: T5M CNJ DVZ EZ, 5-Imidazolecarboxamide, 4-amino-, 552410_ALDRICH, 5-Amino-4-imidazolecarboxyamide

Molecular Formula:	C₄H₆N₄O	Molecular Weight:	126.116640 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: DVNYTAVYBRSTGK-UHFFFAOYSA-N

• 4,6-Dichloro-5-AminoPyrimidine

IUPAC Name: 4,6-dichloropyrimidin-5-amine | CAS Registry Number: 5413-85-4
Synonyms: 5-Amino-4,6-dichloropyrimidine, 5-Pyrimidinamine, 4,6-dichloro-, 4,6-Dichloropyrimidin-5-ylamine, 4,6-Dichloro-5-aminopyrimidine, NSC7851, 217735_ALDRICH, 07690_FLUKA, Pyrimidine, 5-amino-4,6-dichloro-, CID79434, NSC 7851, EINECS 226-503-7, SBB003920, ZINC01581331, AI3-52090, TL80073606, AB-323/25048131, 6045-36-9

Molecular Formula:	C₄H₃Cl₂N₃	Molecular Weight:	163.992720 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: NIGDWBHWHVHOAD-UHFFFAOYSA-N

• 5-Amino-3,4-DimethylIsoxazole

IUPAC Name: 3,4-dimethyl-1,2-oxazol-5-amine | CAS Registry Number: 19947-75-2
Synonyms: 5-Isoxazolamine, 3,4-dimethyl-, 5-Amino-3,4-dimethylisoxazole, 280240_ALDRICH, 3,4-Dimethylisoxazol-5-ylamine, 5-Amino-3,4-dimethyl-isoxazole, EINECS 243-437-4, NSC143787, ZINC00164496, 5-AMINO-3,4-DIMETHYL ISOXAZOLE, AI3-34642, ST5146743

Molecular Formula:	C₅H₈N₂O	Molecular Weight:	112.129820 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: PYNDWPFZDQONDV-UHFFFAOYSA-N

• 1,2-Epoxypropane

IUPAC Name: 2-methyloxirane | CAS Registry Number: 75-56-9
Synonyms: Propylene oxide, Methyloxirane, Epoxypropane, Oxirane, methyl-, 2-Methyloxirane, Propyleneoxide, Methyl oxirane, Propene oxide, Propylene epoxide, 2,3-Epoxypropane, Methyloxacyclopropane, Propane, epoxy-, ()-Methyloxirane, Methyl ethylene oxide, 1,2-PROPYLENE OXIDE, ()-Propylene oxide, Caswell No. 713A, Ethylene oxide, methyl-, Propane, 1,2-epoxy-, AD 6 (suspending agent)

Molecular Formula:	C₃H₆O	Molecular Weight:	58.079140 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: GOOHAUXETOMSMM-UHFFFAOYSA-N

• 3,5-Dibromofluorobenzene

IUPAC Name: 1,3-dibromo-5-fluorobenzene | CAS Registry Number: 1435-51-4
Synonyms: 1,3-Dibromo-5-fluorobenzene, 3,5-Dibromo-1-fluorobenzene, 368121_ALDRICH, ST5405503, TL80074056, InChI=1/C6H3Br2F/c7-4-1-5(8)3-6(9)2-4/h1-3

Molecular Formula:	C₆H₃Br₂F	Molecular Weight:	253.894423 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: ASWYHZXKFSLNLN-UHFFFAOYSA-N

• 1 3-Dichloro Propene

IUPAC Name: (E)-1,3-dichloroprop-1-ene | CAS Registry Number: 542-75-6
Synonyms: Telone II, Dorlone, Nematox, Telone, Nemex, trans-Telone, Dorlone II, Telone C, Di-Trapex CP, Telone II-B, Tri-Form, Telone EC, 1,3-Dichloropropylene, Telone C17, Telone IIR, trans-1,3-Dichloropropene, DICHLOROPROPENE, cis-Dichloropropene, 1-Propene, 1,3-dichloro-, Propene, 1,3-dichloro-

Molecular Formula:	C₃H₄Cl₂	Molecular Weight:	110.969860 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: UOORRWUZONOOLO-OWOJBTEDSA-N

• 1,2-Dibromoethane

IUPAC Name: 1,2-dibromoethane | CAS Registry Number: 106-93-4
Synonyms: Ethylene bromide, sym-Dibromoethane, Aadibroom, Bromofume, Sanhyuum, Soilbrom, Soilfume, Celmide, Edabrom, Kopfume, Unifume, Nephis, Nefis, ETHYLENE DIBROMIDE, Glycol Dibromide, Iscobrome D, Fumo-gas, Dibromoethylene, Pestmaster, dibromoet hane

Molecular Formula:	C₂H₄Br₂	Molecular Weight:	187.861160 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: PAAZPARNPHGIKF-UHFFFAOYSA-N

• 1,2-Propanediol

IUPAC Name: propane-1,2-diol | CAS Registry Number: 57-55-6
Synonyms: propylene glycol, 1,2-propanediol, Sirlene, propane-1,2-diol, Trimethyl glycol, Dowfrost, 2-Hydroxypropanol, Methylethyl glycol, Solargard P, 2,3-Propanediol, 1,2-Propylene glycol, Methyl glycol, Monopropylene glycol, propanediol, Methylethylene glycol, Isopropylene glycol, Solar Winter BAN, dl-Propylene glycol, 1,2-dihydroxypropane, alpha-Propyleneglycol

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

InChIKey: DNIAPMSPPWPWGF-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

• 1-Alfa-Alanine

IUPAC Name: 2-aminopropanoic acid | CAS Registry Number: 302-72-7
Synonyms: alanine, DL-ALANINE, D-alanine, L-alanine, alanin, alanina, DL-alpha-Alanine, D,L-Alanine, Poly-DL-alanine, .alpha.-Alanine, Alanine, DL-, D-.alpha.-Alanine, (R,S)-Alanine, 2-Aminopropanoic acid, 2-Aminopropionic acid, (+-)-Alanine, (R)-Alanine, (S)-Alanine, Alanine, D-, L-.alpha.-Alanine

Molecular Formula:	C₃H₇NO₂	Molecular Weight:	89.093180 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: QNAYBMKLOCPYGJ-UHFFFAOYSA-N

• 1-Bromododecane

IUPAC Name: 1-bromododecane | CAS Registry Number: 143-15-7
Synonyms: Dodecyl bromide, n-Dodecyl bromide, Lauryl bromide, Dodecane, 1-bromo-, 1-BROMO-N-DODECANE, B65551_ALDRICH, 16970_FLUKA, 17743_FLUKA, CID8919, NSC6786, NSC 6786, EINECS 205-587-9, AI3-02166

Molecular Formula:	C₁₂H₂₅Br	Molecular Weight:	249.230900 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: PBLNBZIONSLZBU-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

• (4R,6R)-t-Butyl-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate

IUPAC Name: 2-[(4R,6R)-2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-dioxan-4-yl]ethylazanium | CAS Registry Number: 125995-13-3
Synonyms: ZINC04284042, CID7168028

Molecular Formula:	C₁₄H₂₈NO₄+	Molecular Weight:	274.376420 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: HWSHVKNLMBMKSR-GHMZBOCLSA-O

• (+/-)-Anabasine

IUPAC Name: 3-piperidin-2-ylpyridine | CAS Registry Number: 13078-04-1
Synonyms: Anabasine, Neonicotine, Neonikotin, Anabasin, Anabazin, DL-Anabasine, (+-)-Anabasine, S-(-)-Anabasine, ()-Anabasine, Caswell No. 051, 3-(2-Piperidinyl)pyridine, Piperidine, 2-(3-pyridyl)-, Spectrum_000023, SpecPlus_000616, L-3-(2'-Piperidyl)pyridine, Prestwick0_000669, Prestwick1_000669, Prestwick2_000669, Spectrum2_001792, Spectrum3_001356

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

InChIKey: MTXSIJUGVMTTMU-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

• (-)-Actinonin

IUPAC Name: (2R)-N'-hydroxy-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-pentylbutanediamide | CAS Registry Number: 13434-13-4
Synonyms: actinonin, Actinonine, Spectrum2_000628, Spectrum3_000680, Spectrum4_001932, Spectrum5_000728, Lopac0_000010, BSPBio_002379, KBioGR_002305, DivK1c_001024, SPBio_000596, KBio1_001024, KBio3_001599, NINDS_001024, AIDS110792, C19H35N3O5, AIDS-110792, CID443600, CPD0-1358, IDI1_001024

Molecular Formula:	C₁₉H₃₅N₃O₅	Molecular Weight:	385.498300 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	5

InChIKey: XJLATMLVMSFZBN-VYDXJSESSA-N