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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• (2r)-3-Phenyl-1,2-Propanediamine

IUPAC Name: (2R)-3-phenylpropane-1,2-diamine | CAS Registry Number: 85612-59-5
Synonyms: (2R)-3-PHENYL-1,2-PROPANEDIAMINE, (R)-3-Phenyl-1,2-propanediamine, SureCN3441656, CTK5F5336, AKOS006278626, AB14684, AG-H-44757, 1,2-Propanediamine,3-phenyl-, (R)-, 1,2-Propanediamine,3-phenyl-, (2R)-, KB-01263, (2R)-3-PHENYLPROPANE-1,2-DIAMINE

Molecular Formula:	C₉H₁₄N₂	Molecular Weight:	150.220860 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: CXFFQOZYXJHZNJ-SECBINFHSA-N

• 1,2-Phenylene Phosphorochloridite

IUPAC Name: 2-chloro-1,3,2-benzodioxaphosphole | CAS Registry Number: 1641-40-3
Synonyms: o-Phenylene phosphorochloridite, 155764_ALDRICH, 2-Chloro-1,3,2-benzodioxaphosphole, 1,2-Phenylene phosphorochloridite, CID74232, 1,3,2-Benzodioxaphosphole, 2-chloro-, EINECS 216-690-3, InChI=1/C6H4ClO2P/c7-10-8-5-3-1-2-4-6(5)9-10/h1-4, 60480-12-8

Molecular Formula:	C₆H₄ClO₂P	Molecular Weight:	174.521521 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: YUJYEGDMJZHLMY-UHFFFAOYSA-N

• 2-Deoxystreptamine, Dihydrobromide

IUPAC Name: 4,6-diaminocyclohexane-1,2,3-triol | CAS Registry Number: 2037-48-1
Synonyms: Deoxystreptamine, 2-Deoxystreptamine, 2-Desoxystreptamine, Streptamine, 2-deoxy-, Streptamine, 2-deoxy- (8CI), C6H14N2O3, CHEBI:287468, 1,2,3-Cyclohexanetriol, 4,6-diamino-, NSC 156938, CID98959, NSC156938, Streptamine, 2-deoxy- (8CI)(9CI), 4,6-Diamino-cyclohexane-1,2,3-triol, LS-173826, 4,6-Diamino-cyclohexane-1,2,3-triol(2-deoxystreptamine)

Molecular Formula:	C₆H₁₄N₂O₃	Molecular Weight:	162.186960 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	5

InChIKey: DTFAJAKTSMLKAT-UHFFFAOYSA-N

• (R)-Citalopram oxalate

IUPAC Name: (1R)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;oxalic acid | CAS Registry Number: 219861-53-7
Synonyms: (R)-Citalopram Oxalate, S-citalopram Oxalate, CTK8F0585, AKOS015961781, AC-15355, FT-0665067, 1-(3-Dimethylaminopropyl)-1-(4-fluoro-phenyl)-1,3-dihydro-isobenzofuran-5-carbonitrile Oxalate

Molecular Formula:	C₂₂H₂₃FN₂O₅	Molecular Weight:	414.426823 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	8

InChIKey: KTGRHKOEFSJQNS-VEIFNGETSA-N

• 7-Hydroxy-4-cholesten-3-one

IUPAC Name: (7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-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: 3862-25-7
Synonyms: 7alpha-Hydroxy-4-cholesten-3-one, Cholest-4-en-7alpha-ol-3-one, 4-cholesten-7alpha-ol-3-one, 7-Hydroxycholest-4-en-3-one, 7alpha-Hydroxycholest-4-en-3-one, CHEBI:17899, CPD-1087, CID123743, LMST04030123, ZINC13543206, C03775, Cholest-4-en-3-one, 7-hydroxy-, (7alpha)-

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

InChIKey: IOIZWEJGGCZDOL-RQDYSCIWSA-N

• 4-Hydroxy-3-[3-oxo-1-(phenyl-D5)butyl]-2H-1-benzopyran-2-one

IUPAC Name: 4-hydroxy-3-[3-oxo-1-(2,3,4,5,6-pentadeuteriophenyl)butyl]chromen-2-one | CAS Registry Number: 75472-93-4
Synonyms: Warfarin-d5, Warfotox-d5, Rodex-d5, Sakarat X-d5, [2H5]-Warfarin, Warf compound 42-d5, CTK8G3779, MolPort-003-850-868, AG-B-55737, 3-(|A-Acetonylbenzyl)-4-hydroxy-coumarin-d5, 4-Hydroxy-3-(3-oxo-1-phenyl-d5-butyl)-2H-1-benzopyran-2-one

Molecular Formula:	C₁₉H₁₆O₄	Molecular Weight:	313.358749 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: PJVWKTKQMONHTI-ATTUOBAHSA-N

• (+)-Tramadol hydrochloride

IUPAC Name: (1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;hydrochloride | CAS Registry Number: 148229-78-1
Synonyms: tramadol hydrochloride, Bellatram, Contramal, Omnidol, Zumatran, Radol, Tadol, Tramadol HCl, Tramagetic, Tradonal, Tramadex, Tramazac, Dolana, Mabron, Trabar, Tramed, Tramol, Tridol, Tradol-Puren, cis-Tramadol hydrochloride

Molecular Formula:	C₁₆H₂₆ClNO₂	Molecular Weight:	299.836140 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: PPKXEPBICJTCRU-XMZRARIVSA-N

• (3R,5S,6E)-7-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoic acid

IUPAC Name: sodium;(E,3R,5S)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoate | CAS Registry Number: 155229-75-7
Synonyms: FLUVASTATIN SODIUM, Lescol, Fluvastatin (sodium), 93957-55-2, Fluvastatin sodium salt, Sri-62320, Canef, Fractal, Lipaxan, Vastin, Locol, CHEBI:77602, KS-1062, Lescol XL, XU 62-320, XU-62-320, C24H25FNNaO4, DSSTox_CID_24758, DSSTox_RID_80451, DSSTox_GSID_44758

Molecular Formula:	C₂₄H₂₅FNNaO₄	Molecular Weight:	433.455 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: ZGGHKIMDNBDHJB-NRFPMOEYSA-M

• 22(R)-Hydroxycholesterol

IUPAC Name: (3S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R)-3-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: 17954-98-2
Synonyms: 22-Hydroxycholesterol, 22beta-Hydroxycholesterol, 22alpha-Hydroxycholesterol, H9384_SIGMA, (22R)-22-Hydroxycholesterol, 5-Cholestene-3beta,22(R)-diol, 5-Cholestene-3beta,22[R]-diol, CHEBI:385115, MolPort-003-941-744, CID167685, LMST01010086, (3beta,22R)-Cholest-5-ene-3,22-diol, Cholest-5-ene-3,22-diol, (3beta,22R)-, C05502, (3S,8S,9S,10R,13S,14S,17R)-17-((2S,3R)-3-hydroxy-6-methylheptan-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, 17-(2-Hydroxy-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol, 22348-64-7

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

InChIKey: RZPAXNJLEKLXNO-GFKLAVDKSA-N

• 2-Chloroquinoline-6-sulfonyl chloride

IUPAC Name: 2-chloroquinoline-6-sulfonyl chloride | CAS Registry Number: 205055-71-6
Synonyms: 2-chloroquinoline-6-sulfonyl chloride, AC1Q3KVS, CTK4E4384, MolPort-003-845-918, 2-Chloro-6-quinolinesulfonyl Chloride, AKOS000137983, AG-E-50362, MCULE-5585185357, KB-170139, FT-0664969, EN300-27464, T5856569

Molecular Formula:	C₉H₅Cl₂NO₂S	Molecular Weight:	262.112500 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: OBSXSFGTHBBROC-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

• (2R)-(-)-Glycidyl tosylate

IUPAC Name: [(2R)-oxiran-2-yl]methyl 4-methylbenzenesulfonate | CAS Registry Number: 113826-06-5
Synonyms: (R)-Glycidyl tosylate, (-)-Glycidyl tosylate, (R)-(-)-Glycidyl tosylate, CCRIS 6399, (R)-(-)-Glycidyl p-toluenesulfonate, BRN 3592142, Oxiranemethanol, 4-methylbenzenesulfonate, (R)-, (2R)-Oxiran-2-ylmethyl 4-methylbenzenesulfonate, (2R)-(-)-Glycidyl p-toluenesulfonate, PubChem5838, 5-17-03-00047 (Beilstein Handbook Reference), (2R)-Glycidyl tosylate, AC1L4BTR, R-(-)-Glycidyl tosylate, (R)-(-)-Glycidyltosylate, 540110_ALDRICH, Jsp001056, Jsp002303, ( R )-GLYCIDYL TOSYLATE, BIG1004

Molecular Formula:	C₁₀H₁₂O₄S	Molecular Weight:	228.264880 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: NOQXXYIGRPAZJC-SECBINFHSA-N

• (R)-(+)-2,2-Dimethyl-1,3-dioxolane-4-carboxaldehyde

IUPAC Name: (4R)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde | CAS Registry Number: 15186-48-8
Synonyms: 454486_ALDRICH, NSC89869, SL-02829, TL8001119, (R)-()-2,2-Dimethyl-1,3-dioxolane-4-carboxaldehyde

Molecular Formula:	C₆H₁₀O₃	Molecular Weight:	130.141800 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: YSGPYVWACGYQDJ-YFKPBYRVSA-N

• (S)-3-Chloro-1,2-propanediol

IUPAC Name: (2S)-3-chloropropane-1,2-diol | CAS Registry Number: 60827-45-4
Synonyms: alpha-Chlorohydrin, (S)-alpha-Chlorohydrin, sGPhMQDIK]UQX@, S-3-Chloro-1,2-propanediol, 3-Chloropropane-1,2-diol, CCRIS 7386, 1,2-Propanediol, 3-chloro-, 540064_ALDRICH, (S)-alpha-Glycerol chlorohydrin, 26077_FLUKA, 1,2-Propanediol, 3-chloro-, (S)-, ZINC02041174, (S)-()-3-Chloro-1,2-propanediol, (S)-(+)-3-Chloro-1,2-propanediol, LS-120253, TL8003855, InChI=1/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H, 96-24-2

Molecular Formula:	C₃H₇ClO₂	Molecular Weight:	110.539480 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: SSZWWUDQMAHNAQ-GSVOUGTGSA-N

• 1-Methylxanthine-D3

IUPAC Name: 1-(trideuteriomethyl)-3,7-dihydropurine-2,6-dione | CAS Registry Number: 109987-37-3
Synonyms: 1-Methyl Xanthine-d3, 1-Methylxanthine-d3, 1-MX-d3, CTK8F0262, 2,6-Dihydroxy-1-(methyl-d3)purine, 3,9-Dihydro-1-(methyl-d3)-1H-purine-2,6-dione, 1216430-61-3

Molecular Formula:	C₆H₆N₄O₂	Molecular Weight:	169.155925 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: MVOYJPOZRLFTCP-FIBGUPNXSA-N

• 7-Ketocholesterol-D7

IUPAC Name: (3S,8S,9S,10R,13R,14S)-3-hydroxy-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one | CAS Registry Number: 127684-08-6
Synonyms: 7-Oxocholesterol-d7, 7-Keto Cholesterol-d7, Cholest-5-en-3|A-ol-7-one-d7, SC 4722-d7, 3|A-Hydroxycholest-5-en-7-one-d7, (3|A)-3-Hydroxycholest-5-en-7-one-d7, FT-0670620, 7-Ketocholesterol-25,26,26,26, 27,27,27-d7

Molecular Formula:	C₂₇H₄₄O₂	Molecular Weight:	407.680192 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: YIKKMWSQVKJCOP-YMQSFMNJSA-N

• (R)-Azelastine

IUPAC Name: 2,3-dihydrotriazolo[4,5-d]pyrimidine-5,7-dione | CAS Registry Number: 143228-84-6
Synonyms: 8-AZAXANTHINE, Xanthazol, Azaxanthine, 2,6-Dioxy-8-azapurine, 8-Azaxanthin, USAF CB-26, 1468-26-4, NSC 756, CHEBI:40850, EINECS 215-992-2, v-Triazolo(4,5-d)pyrimidine-5,7-diol, AI3-25011, ST50307146, v-Triazolo(4,5-d)pyrimidine-5,7-diol (VAN), 2,6-Dihydroxy-8-azapurine, 1H-v-Triazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione, 8-Azaxanthine monohydrate, 1H-1,2,3-Triazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione, 3H-1,2,3-Triazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione, 3H-[1,2,3]triazolo[4,5-d]pyrimidine-5,7-diol

Molecular Formula:	C₄H₃N₅O₂	Molecular Weight:	153.098920 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: KVGVQTOQSNJTJI-UHFFFAOYSA-N

• (+)-N,O-Di-Desmethyl Tramadol

IUPAC Name: 3-[(1R,2R)-1-hydroxy-2-(methylaminomethyl)cyclohexyl]phenol | CAS Registry Number: 144830-18-2
Synonyms: 138853-73-3, Di-N,O-demethyltramadol, SureCN13950721, rac N,O-Didesmethyl Tramadol, (+)-N,O-Didesmethyl Tramadol, CTK8E8492, (+/-)-N,O-Di-Desmethyl Tramadol, FT-0666700, FT-0666703, (1R-cis)-3-[1-Hydroxy-2-[(methylamino)methyl]cyclohexyl]-phenol, 3-[(1R,2R)-1-Hydroxy-2-[(methylamino)methyl]cyclohexyl]-phenol, cis-(+/-)-3-[1-Hydroxy-2-[(methylamino)methyl]cyclohexyl]phenol, Phenol, 3-[(1R,2R)-1-hydroxy-2-[(methylamino)methyl]cyclohexyl]-, rel-3-[(1R,2R)-1-Hydroxy-2-[(methylamino)methyl]cyclohexyl]phenol, Phenol, 3-[1-hydroxy-2-[(methylamino)methyl]cyclohexyl]-, (1R-cis)-

Molecular Formula:	C₁₄H₂₁NO₂	Molecular Weight:	235.322040 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: CJXNQQLTDXASSR-OCCSQVGLSA-N

• 1A,10B-Dihydro-6H-dibenzo[B,F]oxireno[D]azepine-6-carboxamide

Synonyms: Carbamazepine epoxide, Carbamazepine 10,11-epoxide, 10,11-Epoxycarbamazepine, Carbamazepine-10,11-epoxide, Carbamazepine 10,11-oxide, C4206_SIGMA, CID2555, Carbamazepine-10,11-trans-dihydrodiol, BRN 1219988, GP 49-023, LS-61643, C07496, 1a,10b-Dihydro-6H-dibenz(b,f)oxiren(d)azepine-6-carboxamide, 6H-DIBENZ(b,f)OXIREN(d)AZEPINE-6-CARBOXAMIDE, 1a,10b-DIHYDRO-, 1a,10b-Dihydro-6H-dibenzo(b,f)oxireno(d)azepine-6-carboxamide, 6H-Dibenz[b,f]oxireno[d]azepine-6-carboxamide, 1a,10b-dihydro-

Molecular Formula:	C₁₅H₁₂N₂O₂	Molecular Weight:	252.267980 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: ZRWWEEVEIOGMMT-UHFFFAOYSA-N

• (R)-(-)-Epichlorohydrin

IUPAC Name: 2-(chloromethyl)oxirane | CAS Registry Number: 51594-55-9
Synonyms: EPICHLOROHYDRIN, Epichlorhydrin, Glycidyl chloride, Epichlorophydrin, 2-(Chloromethyl)oxirane, Chloromethyloxirane, epi-Chlorohydrin, alpha-Epichlorohydrin, Chloropropylene oxide, Chloropropylene, Epichlorhydrine, Epicloridrina, Chloromethyl, Oxirane, (chloromethyl)-, Polidexide, SKEKhG, Epichloorhydrine, Epichlorohydryna, 1-Chloro-2,3-epoxypropane, Glycerol epichlorohydrin

Molecular Formula:	C₃H₅ClO	Molecular Weight:	92.524200 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: BRLQWZUYTZBJKN-UHFFFAOYSA-N

• 1,2,4-Benzenetriol

IUPAC Name: benzene-1,2,4-triol | CAS Registry Number: 533-73-3
Synonyms: Hydroxyquinol, Hydroxyhydroquinone, 1,2,4-BENZENETRIOL, Oxyhydroquinone, 1,2,4-Trihydroxybenzene, Benzene-1,2,4-triol, 4-Hydroxycatechol, 2,5-Dihydroxyphenol, Hydroquinone, hydroxy-, Ambap71, 1,3,4-Benzenetriol, 1,3,4-Trihydroxybenzene, Oxyhydrochinon [German], WLN: QR BQ DQ, CCRIS 2987, 173401_ALDRICH, NSC 2818, CHEBI:16971, EINECS 208-575-1, NSC2818

Molecular Formula:	C₆H₆O₃	Molecular Weight:	126.110040 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: GGNQRNBDZQJCCN-UHFFFAOYSA-N

• (S)-(+)-Epichlorohydrin

IUPAC Name: (2S)-2-(chloromethyl)oxirane | CAS Registry Number: 67843-74-7
Synonyms: (S)-Epichlorohydrin, (S)-(Chloromethyl)oxirane, 2-(Chloromethyl)oxirane, (S)-()-Epichlorohydrin, CCRIS 6388, oxirane, 2-(chloromethyl)-, (2S)-2-(chloromethyl)oxirane, 540080_ALDRICH, Oxirane, (chloromethyl)-, (S)-, 45327_FLUKA, CHEBI:37145, (S)-()-2-(Chloromethyl)oxirane, BRN 1420784, ZINC01487602, SB 02049, LS-101031, TL8004778, 5-17-01-00021 (Beilstein Handbook Reference), InChI=1/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H, 106-89-8

Molecular Formula:	C₃H₅ClO	Molecular Weight:	92.524200 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: BRLQWZUYTZBJKN-GSVOUGTGSA-N

• 3-Hydroxymandelic Acid

IUPAC Name: 2-hydroxy-2-(3-hydroxyphenyl)acetic acid | CAS Registry Number: 17119-15-2
Synonyms: 3-Hydroxymandelic acid, m-Hydroxymandelic acid, 3-Hydroxyphenylglycolic acid, bmse000573, Mandelic acid, m-hydroxy-, 55520_ALDRICH, alpha,3-Dihydroxybenzeneacetic acid, Hydroxy(3-hydroxyphenyl)acetic acid, 55520_FLUKA, dl-Hydroxy(m-hydroxyphenyl)acetic acid, CID86957, EINECS 241-182-3, Benzeneacetic acid, .alpha.,3-dihydroxy-

Molecular Formula:	C₈H₈O₄	Molecular Weight:	168.146720 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: OLSDAJRAVOVKLG-UHFFFAOYSA-N

• 5-Alpha-Pregnan-3-Alpha, 20-Alpha-Diol

IUPAC Name: (3R,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol | CAS Registry Number: 566-58-5
Synonyms: Hydroxydione succinate, Allopregnane-3alpha,20alpha-diol, CID164674, ZINC06030257, (3alpha,5alpha,20S)-Prgnane-3,20-diol, Prgnane-3,20-diol, (3alpha,5alpha,20S)-

Molecular Formula:	C₂₁H₃₆O₂	Molecular Weight:	320.509340 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: YWYQTGBBEZQBGO-CGVINKDUSA-N

• 2-Deoxy-3,5-di-O-p-toluoyl-L-ribofuranosyl chloride

IUPAC Name: [(2S,3R,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate | CAS Registry Number: 141846-57-3
Synonyms: (2S,3R,5R)-5-Chloro-2-(((4-methylbenzoyl)oxy)methyl)tetrahydrofuran-3-yl 4-methylbenzoate, SureCN3390288, ANW-66945, AKOS016008086, AK-93506, KB-206628, FT-0634925, FT-0665795

Molecular Formula:	C₂₁H₂₁ClO₅	Molecular Weight:	388.841440 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: FJHSYOMVMMNQJQ-QYZOEREBSA-N

• 5-Amino-3-(1-naphthyl)-4-cyano-1-tert-butylpyrazole

IUPAC Name: 5-amino-1-tert-butyl-3-naphthalen-1-ylpyrazole-4-carbonitrile | CAS Registry Number: 221243-34-1
Synonyms: 5-AMINO-3-(1-NAPHTHYL)-4-CYANO-1-TERT-BUTYLPYRAZOLE, CTK4E8690, AG-E-61840, KB-196644, FT-0661954, 1H-Pyrazole-4-carbonitrile,5-amino-1-(1,1-dimethylethyl)-3-(1-naphthalenyl)-, 5-AMINO-3-(1-NAPHTHYL)-4-CYANO-1-TERT-BUTYLPYRAZOLE;5-Amino-1-(1,1-dimethylethyl)-3-(1-naphthalenyl)-1H-pyrazole-4-carbonitrile\u000b5-Amino-1-(tert-butyyl)-3-(1-naphthalenyl)-1H-pyrazole-4-carbonitrile

Molecular Formula:	C₁₈H₁₈N₄	Molecular Weight:	290.362320 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: VQIRZHRXSCWFNN-UHFFFAOYSA-N

• (3beta)-Cholest-5-en-3-ol-25,26,27-13C3

IUPAC Name: (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol | CAS Registry Number: 335080-97-2
Synonyms: Cholesterol-25,26,27-13C3, SCHEMBL1330715

Molecular Formula:	C₂₇H₄₆O	Molecular Weight:	389.641 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: HVYWMOMLDIMFJA-GZKKNSGCSA-N

• 3-Hydroxydodecanedioic acid

IUPAC Name: 3-hydroxydodecanedioic acid | CAS Registry Number: 34574-69-1
Synonyms: 3-HYDROXYDODECANEDIOIC ACID, 3-HYDROXY-DODECANEDIOIC ACID, AG-F-18376, 3-Hydroxydodecanedioate, 3-Hydroxydodecanedioicacid;, Dodecanedioic acid,3-hydroxy-, Dodecanedioic acid, 3-hydroxy-, CTK4H2626, HMDB00413, AGN-PC-014649, LMFA01170089, KB-183006

Molecular Formula:	C₁₂H₂₂O₅	Molecular Weight:	246.300080 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: FYVQCLGZFXHEGL-UHFFFAOYSA-N

• 2-Ethyl-D5-2-hydroxybutyric-3,3,4,4,4-D5 acid

IUPAC Name: 3,3,4,4,4-pentadeuterio-2-hydroxy-2-(1,1,2,2,2-pentadeuterioethyl)butanoic acid | CAS Registry Number: 358731-27-8
Synonyms: ACM358731278

Molecular Formula:	C₆H₁₂O₃	Molecular Weight:	142.220 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: LXVSANCQXSSLPA-MWUKXHIBSA-N

• 16alpha-Hydroxyestrone

IUPAC Name: (8S,9R,13S,14R,16R)-3,16-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one | CAS Registry Number: 566-76-7
Synonyms: 16-Hydroxyestrone, CID440625, LMST02010034, C05300

Molecular Formula:	C₁₈H₂₂O₃	Molecular Weight:	286.365480 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: WPOCIZJTELRQMF-UJHHCITNSA-N

• 2-Chlorotoluene-D7

IUPAC Name: 1-chloro-2,3,4,5-tetradeuterio-6-(trideuteriomethyl)benzene | CAS Registry Number: 84344-05-8
Synonyms: 2-Chlorotoluene-d7

Molecular Formula:	C₇H₇Cl	Molecular Weight:	133.626 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: IBSQPLPBRSHTTG-AAYPNNLASA-N

• 2-Chloronaphthalene-D7

IUPAC Name: 2-chloro-1,3,4,5,6,7,8-heptadeuterionaphthalene | CAS Registry Number: 93951-84-9
Synonyms: 2-Chloronaphthalene-d7

Molecular Formula:	C₁₀H₇Cl	Molecular Weight:	169.659 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: CGYGETOMCSJHJU-GSNKEKJESA-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

• 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

• 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

• 5-Amino-N-benzyloxycarbonylpentanol

IUPAC Name: benzyl N-(5-hydroxypentyl)carbamate | CAS Registry Number: 87905-98-4
Synonyms: Benzyl N-(5-hydroxypentyl)carbamate, 5-(Z-Amino)-1-pentanol, ST51037702, SureCN887187, AC1N3YA9, 95902_ALDRICH, 95902_FLUKA, CTK5F9121, Benzyl (5-hydroxypentyl)carbamate, MolPort-003-939-899, N-Benzyloxycarbonyl-5-aminopentanol, ZINC02386960, AKOS015902526, BENZYL 5-HYDROXYPENTYLCARBAMATE, AG-H-54597, 5-[(Benzyloxycarbonyl)amino]-1-pentanol, AK120734, FT-0661601, N-(5-hydroxypentyl)(phenylmethoxy)carboxamide, I14-19942

Molecular Formula:	C₁₃H₁₉NO₃	Molecular Weight:	237.294860 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: TYIYHFWLYLHCHY-UHFFFAOYSA-N

• 2-Chlorophenol-3,4,5,6-D4

IUPAC Name: 2-chloro-3,4,5,6-tetradeuteriophenol | CAS Registry Number: 93951-73-6
Synonyms: 2-Chlorophenol-3,4,5,6-d4, 449423_ALDRICH, AKOS015913003, I14-48759

Molecular Formula:	C₆H₅ClO	Molecular Weight:	132.580947 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: ISPYQTSUDJAMAB-RHQRLBAQSA-N

• (R)-2-Bromo-3-phenylpropionic acid

IUPAC Name: (2R)-2-bromo-3-phenylpropanoic acid | CAS Registry Number: 42990-55-6
Synonyms: (R)-2-BROMO-3-PHENYLPROPIONIC ACID, 3-Phenyl-2(R)-bromopropionic acid, (R)-2-bromo-3-phenylpropanoic acid, (+)-2-Bromo-3-phenylpropionic acid, (D)-2-Bromo-3-phenylpropionic Acid, (R)-3-Phenyl-2-bromopropionic acid, (D)-1-BROMO-2-PHENYLPROPIONIC ACID, CTK4I6871, MolPort-020-237-602, (R)-.alpha.-Bromobenzenepropanoic acid, AB04813, AG-F-52581, Benzenepropanoic acid, a-bromo-, (aR)-, (R)-ALPHA-BROMOBENZENEPROPANOIC ACID, KB-188648, D-.alpha.-Bromo-.beta.-phenylpropionic acid, FT-0084732, FT-0605023, (2R)-2-BROMO-3-PHENYLPROPANOIC ACID, D-ALPHA-BROMO-BETA-PHENYLPROPIONIC ACID

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

InChIKey: WDRSCFNERFONKU-MRVPVSSYSA-N

• (3R,4S)-3-Hydroxy-4-phenyl-2-azetidinone

IUPAC Name: (3R,4S)-3-hydroxy-4-phenylazetidin-2-one | CAS Registry Number: 132127-34-5
Synonyms: (3R,4S)-3-Hydroxy-4-phenylazetidin-2-one, SureCN2112084, Jsp001942, CTK8B4978, ACT01817, ANW-46938, ZINC22061006, AKOS006307811, RL01497, AK-57794, BR-57794, KB-207565, (3R-cis)-3-Hydroxy-4-phenyl-2-azetidinone, FT-0669948, X9821, I01-9824

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

InChIKey: FBZSDKXFQUKDLD-JGVFFNPUSA-N

• 4-(Aminosulfonyl)phenylhydrazine

IUPAC Name: 4-hydrazinylbenzenesulfonamide | CAS Registry Number: 4392-54-5
Synonyms: 4-hydrazinobenzenesulfonamide, NCIOpen2_000438, p-Hydrazinobenzenesulphonamide, ALBB-005907, NSC73246, EINECS 224-513-6, aromatic/heteroaromatic sulfonamide 3, ZINC00152965

Molecular Formula:	C₆H₉N₃O₂S	Molecular Weight:	187.219560 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: NBJSNAGTUCWQRO-UHFFFAOYSA-N

• (+)-2-Ethoxy-4-(n-3-Methyl-1(s)-(2-(1-Piperidinyl)phenyl)-Butyl)carbamoylmethyl)

IUPAC Name: ethyl 2-ethoxy-4-[2-[[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]benzoate | CAS Registry Number: 147770-06-7
Synonyms: (S)-Repaglinide Ethyl Ester (Repaglinide Impurity), (S)-Ethyl 2-ethoxy-4-(((N-(1-(2-piperidinophenyl)-3-methyl-1-butyl)amino)carbonyl)methyl)benzoate, (S)-Ethyl 2-ethoxy-4-[[[N-[1-(2-piperidinophenyl)-3-methyl-1-butyl]amino]carbonyl]methyl]benzoate, Repaglinide ethyl ester, SureCN391046, UNII-3G7O9LRT91, (S)-Repaglinide ethyl ester, CTK8E8147, Ethyl 2-ethoxy-4-(2-(((1S)-3-methyl-1-(2-(piperidin-1-yl)phenyl)butyl)amino)-2-oxoethyl)benzoate, ZINC22066288, AKOS015950800, Repaglinide specified impurity D [EP], AB1004890, FT-0674346, X4909, (+)-Ethyl 2-ethoxy-4-(((N-(1-(2-piperidinophenyl)-3-methyl-1-butyl)amino)carbonyl)methyl)benzoate, (S)-2-Ethoxy-4-[2-[[3-methyl-1-[2-(1-piperidinyl)phenyl]butyl]amino]-2-oxoethyl]-benzoicacid ethyl ester; (S)-2-Ethoxy-4-[[[N-[1-(2-piperidinophenyl)-3-methylbutyl]amino]carbonyl]methyl]benzoicacid ethyl ester, 2-Ethoxy-4-[2-[[(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl]amino]-2-oxoethyl]benzoic Acid Ethyl Ester, Benzoic acid, 2-ethoxy-4-(2-(((1S)-3-methyl-1-(2-(1-piperidinyl)phenyl)butyl)amino)-2-oxoethyl)-, ethyl ester, Ethyl (S)-ethoxy-4[N-1-(2-piperidino-phenyl)-3-methyl-1-butyl)amino carbonyl]methyl benzoate

Molecular Formula:	C₂₉H₄₀N₂O₄	Molecular Weight:	480.638900 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: FTCMVLQJMIXDSI-VWLOTQADSA-N

• (r)-4,5,6,7-Tetrahydrobenzothiazole-2,6-Diamine

IUPAC Name: (6R)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine | CAS Registry Number: 106092-11-9
Synonyms: (+)-(6R)-2,6-diamino-4,5,6,7-tetrahydrobenzothiazole, (R)-4,5,6,7-Tetrahydro-benzothiazole-2,6-diamine, (r)-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine, (R)-2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole, PubChem21532, 2,6-Benzothiazolediamine,4,5,6,7-tetrahydro-, (6R)-, CTK4A4401, MolPort-002-501-553, ANW-50234, AKOS015915313, AG-D-20341, RP23174, 112GI016, AC-20378, AK-25280, BR-25280, KB-00120, X8793, A-2447, A13054

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

InChIKey: DRRYZHHKWSHHFT-SCSAIBSYSA-N

• [(1s, 3s, 4s)-4-Amino-3-Hydroxy-5-Phenyl-1-(phenylmethyl)pentyl]-Carbamic Acid 1,1-Dimethylethyl Ester

IUPAC Name: tert-butyl N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate | CAS Registry Number: 144163-85-9
Synonyms: tert-Butyl ((2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl)carbamate, [(1S,3S,4S)-4-Amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-carbamic acid 1,1-dimethylethyl ester, [(1S,3S,4S)-4-Amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]carbamic acid 1,1-dimethyl ethyl ester, SureCN2059435, CTK7G8934, (2S,3S,5S)-2-AMINO-3-HYDROXY-5-(TERT-BUTYLOXYCARBONYLAMINO)-1,6-DIPHENYLHEXANE, MolPort-005-941-577, tert-butyl N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate, AKOS015841346, AKOS015896454, AG-A-03130, AK-33286, BR-33286, S029, KB-259926, FT-0655390, ST51053285, I06-1914, I14-14293

Molecular Formula:	C₂₃H₃₂N₂O₃	Molecular Weight:	384.511780 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: UKFHOTNATOJBKZ-ACRUOGEOSA-N

• 1,2-Dimyristoyl-Sn-Glycero-3-Phosphocholine

IUPAC Name: [(2S)-2,3-di(tetradecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate | CAS Registry Number: 18194-24-6
Synonyms: Dimyristoyllecithin, DIMYRISTOYL LECITHIN, UNII-52QK2NZ2T0, CID87504, EINECS 242-085-9, (R)-(7-Myristoyl-4-oxido-10-oxo-3,5,9-trioxa-4-phosphatricosyl)trimethylammonium 4-oxide

Molecular Formula:	C₃₆H₇₂NO₈P	Molecular Weight:	677.932541 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	8

InChIKey: CITHEXJVPOWHKC-UMSFTDKQSA-N

• (S)-(-)-Carvedilol

IUPAC Name: (2S)-1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol | CAS Registry Number: 95094-00-1
Synonyms: carvedilol, CID185395

Molecular Formula:	C₂₄H₂₆N₂O₄	Molecular Weight:	406.474240 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: OGHNVEJMJSYVRP-KRWDZBQOSA-N

• (-)-3-Dehydroshikimic Acid

IUPAC Name: (4S,5R)-4,5-dihydroxy-3-oxocyclohexene-1-carboxylate | CAS Registry Number: 2922-42-1
Synonyms: 5-dehydroshikimate, 3-dehydro-shikimate, 3-dehydroshikimic acid, 5-dehydroshikimic acid, CHEBI:16630, ZINC05157163, CID5460360, (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylate, 10457-99-5

Molecular Formula:	C₇H₇O₅-	Molecular Weight:	171.127480 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: SLWWJZMPHJJOPH-PHDIDXHHSA-M

• (+)-Tramadol

IUPAC Name: (1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol | CAS Registry Number: 181289-58-7
Synonyms: Tramadol, Ultram, Ralivia flashtab, Ralivia ER, Tramal, Tramadolum [INN-Latin], 27203-92-5, Tramadolum, Tramadon, Tridural, Tradonal odis, Racemic tramadol, Tramadol [INN:BAN], Tramadol HCl, Tradolan, Ryzolt, Tramodol Hcl, Tramadol ER, Ultram ER, EINECS 248-319-6

Molecular Formula:	C₁₆H₂₅NO₂	Molecular Weight:	263.381 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: TVYLLZQTGLZFBW-ZBFHGGJFSA-N

• 2-Chloropropane-2-D1

IUPAC Name: 2-chloro-2-deuteriopropane | CAS Registry Number: 53778-42-0
Synonyms: 2-CHLOROPROPANE-2-D1

Molecular Formula:	C₃H₇Cl	Molecular Weight:	79.546842 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: ULYZAYCEDJDHCC-WFVSFCRTSA-N

• 2-Aminofluorene-D11

IUPAC Name: N,N,1,3,4,5,6,7,8,9,9-undecadeuteriofluoren-2-amine | CAS Registry Number: 347841-44-5
Synonyms: 2-AminoFluorene-D11, SCHEMBL11966175, ACM347841445

Molecular Formula:	C₁₃H₁₁N	Molecular Weight:	192.305 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: CFRFHWQYWJMEJN-DCWZJRGXSA-N

• (1S,2S)-(+)-N-(4-Toluenesulfonyl)-1,2-diphenylethylenediamine

IUPAC Name: [(1S,2S)-2-[(4-methylphenyl)sulfonylamino]-1,2-di(phenyl)ethyl]azanium | CAS Registry Number: 167316-27-0
Synonyms: ZINC04204432, CID7128481

Molecular Formula:	C₂₁H₂₃N₂O₂S+	Molecular Weight:	367.484520 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: UOPFIWYXBIHPIP-SFTDATJTSA-O