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Medical Isotopes, Inc.

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Contact: Eric Stohler
Web: http://www.medicalisotopes.com
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Address: 100 Bridge Street, Pelham, New Hampshire 03076, USA
Phone: +1-(603)-635-2255 | Fax: +1-(603)-635-2448 | Map/Directions >>

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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• 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: C21H21ClO5Molecular Weight: 388.841440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: FJHSYOMVMMNQJQ-QYZOEREBSA-N

• 5-Amino-6-(methylamino)quinoline
IUPAC Name: 6-N-methylquinoline-5,6-diamine | CAS Registry Number: 14204-98-9
Synonyms: CCRIS 5281, N6-Methylquinoline-5,6-diamine, CID155419, ZINC13282477, BBV-27285926

Molecular Formula: C10H11N3Molecular Weight: 173.214440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: VKTBLHRTAVWXIJ-UHFFFAOYSA-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: C4H3N5O2Molecular Weight: 153.098920 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: KVGVQTOQSNJTJI-UHFFFAOYSA-N

• 7alpha-Hydroxycholesterol-25,26,26,26-27,27,27-D7
IUPAC Name: (3S,7S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-5,6,6,6-tetradeuterio-5-(trideuteriomethyl)hexan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol | CAS Registry Number: 349553-94-2

Molecular Formula: C26H44O2Molecular Weight: 395.679 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: HKTLZNPSEKWWSW-AXVNBPJJSA-N

• 7beta-Hydroxycholesterol-25,26,26,26-27,27,27-D7
IUPAC Name: (3S,7R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-5,6,6,6-tetradeuterio-5-(trideuteriomethyl)hexan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol | CAS Registry Number: 349553-97-5

Molecular Formula: C26H44O2Molecular Weight: 395.679 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: HKTLZNPSEKWWSW-KXSSCKPSSA-N

• 2-Hydroxyethynylestradiol
IUPAC Name: (8R,9S,13S,14S)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-2,3,17-triol | CAS Registry Number: 50394-89-3
Synonyms: CID66395, 19-Norpregna-1,3,5(10)-trien-20-yne-2,3,17alpha-triol

Molecular Formula: C20H24O3Molecular Weight: 312.402760 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: KQJCDKMHNQVWDV-CRWCAEIDSA-N

• (+)-3-Carboxy-2,2,5,5-tetramethylpyrrolidinyl-1-oxy
IUPAC Name: (3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid | CAS Registry Number: 50525-83-2
Synonyms: AC1LGZTJ, (+)-3-Carboxy-PROXYL, (-)-3-Carboxy-PROXYL, (3S)-3-Carboxy-2,2,5,5-tetramethyl-1-pyrrolidinyloxy, R-(+)-3-Carboxy-2,2,5,5-tetramethyl-1-pyrrolidinyloxy, (3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid

Molecular Formula: C9H17NO3Molecular Weight: 187.236180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: CLKPVQZFNYXFCY-ZCFIWIBFSA-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: C21H34O2Molecular Weight: 318.493460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: AURFZBICLPNKBZ-SYBPFIFISA-N

• 2'-Chlorodiphenyl-2,3,4,5,6-D5
IUPAC Name: 1-(2-chlorophenyl)-2,3,4,5,6-pentadeuteriobenzene | CAS Registry Number: 51624-35-2
Synonyms: 595659_ALDRICH, 2'-Chlorodiphenyl-2,3,4,5,6-d5, 2 inverted exclamation marka-Chlorodiphenyl-2,3,4,5,6-d5

Molecular Formula: C12H9ClMolecular Weight: 193.683669 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: LAXBNTIAOJWAOP-FSTBWYLISA-N

• 2-(Methyl-D3)-1,4-naphthoquinone
IUPAC Name: 2-(trideuteriomethyl)naphthalene-1,4-dione | CAS Registry Number: 5172-16-7
Synonyms: 2-(Methyl-d3)-1,4-naphthoquinone, ACM5172167

Molecular Formula: C11H8O2Molecular Weight: 175.201 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MJVAVZPDRWSRRC-FIBGUPNXSA-N

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

Molecular Formula: C3H7ClMolecular Weight: 79.546842 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: ULYZAYCEDJDHCC-WFVSFCRTSA-N

• (16beta,17beta)-Estra-1,3,5(10)-triene-2,4-D2-3,16,17-triol
IUPAC Name: (8R,9S,13S,14S,16S,17R)-2,4-dideuterio-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol | CAS Registry Number: 366495-94-5
Synonyms: [2H2]-16ss-17ss-Estriol|||[2H2]-16ss-Hydroxyestradiol

Molecular Formula: C18H24O3Molecular Weight: 290.399 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: PROQIPRRNZUXQM-FMPUZFRRSA-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: C11H10Molecular Weight: 152.258718 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: QPUYECUOLPXSFR-UZHHFJDZSA-N

• 2-Deoxy-2-fluoro-D-mannose
IUPAC Name: (2R,3S,4R,5R)-2-fluoro-3,4,5,6-tetrahydroxyhexanal | CAS Registry Number: 38440-79-8
Synonyms: FDGal, 2-Deoxy-2-fluoromannose, 2-Fluoro-2-deoxy-D-mannose, D-Mannose, 2-deoxy-2-fluoro-, CHEBI:49135, MolPort-003-983-959, 2-deoxy-2-fluoro-aldehydo-D-glucose, CID170049, ZINC01846431, (2R,3S,4R,5R)-2-fluoro-3,4,5,6-tetrahydroxyhexanal

Molecular Formula: C6H11FO5Molecular Weight: 182.146943 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: AOYNUTHNTBLRMT-SLPGGIOYSA-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: C27H44O2Molecular Weight: 400.637060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: IOIZWEJGGCZDOL-RQDYSCIWSA-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: C7H8ClNMolecular Weight: 141.598120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: WCZPTMALUBBXRK-UHFFFAOYSA-N

• 2'-Deoxyuridine-5,6-D2
IUPAC Name: 5,6-dideuterio-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione | CAS Registry Number: 40632-23-3

Molecular Formula: C9H12N2O5Molecular Weight: 230.216 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: MXHRCPNRJAMMIM-AQAQJVFASA-N

• 1-Aminoadamantane-N,N-D2
IUPAC Name: N,N-dideuterioadamantan-1-amine | CAS Registry Number: 40933-03-7
Synonyms: ACM40933037

Molecular Formula: C10H17NMolecular Weight: 153.265 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: DKNWSYNQZKUICI-ZSJDYOACSA-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: C8H16N2O5Molecular Weight: 220.223040 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 6

InChIKey: MCGXOCXFFNKASF-XUQKIGAKSA-N

• 1-Bromoicosane
IUPAC Name: 1-bromoicosane | CAS Registry Number: 4276-49-7
Synonyms: Eicosyl bromide, 1-BROMOEICOSANE, Bromoicosane, Eicosane, 1-bromo-, ARACHIDYL BROMIDE, NCIOpen2_009560, 330485_ALDRICH, NSC87634, 16987_FLUKA, MolPort-003-917-536, LTBB002069, CID20271, EINECS 224-277-4, NSC 87634, B0391, S14-1526

Molecular Formula: C20H41BrMolecular Weight: 361.443540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: CZASMUMJSKOHFJ-UHFFFAOYSA-N

• 17-Ethynylestriol
IUPAC Name: (8R,13S,16R,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,16,17-triol | CAS Registry Number: 4717-40-2
Synonyms: CTK8F3210, AG-F-60763

Molecular Formula: C20H24O3Molecular Weight: 312.402760 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: VSODIPLKPBLGCC-DFCHBNGBSA-N

• (2E,4E)-2,4-Decadienoic acid
IUPAC Name: (2E,4E)-deca-2,4-dienoic acid | CAS Registry Number: 30361-33-2
Synonyms: (2E,4Z)-2,4-Decadienoic acid, trans-2, trans-4-decadienoic acid, EINECS 208-872-6, EINECS 250-149-2, LMFA01030103, LMFA01030104, CID5282782, 544-48-9

Molecular Formula: C10H16O2Molecular Weight: 168.232840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YKHVVNDSWHSBPA-BLHCBFLLSA-N

• 1-Myristoyl-3-chloropropanediol
IUPAC Name: 1-chloro-3,3-dihydroxyheptadecan-4-one | CAS Registry Number: 30557-03-0
Synonyms: 1-MYRISTOYL-3-CHLOROPROPANEDIOL, CTK4G5408, KB-160122

Molecular Formula: C17H33ClO3Molecular Weight: 320.895120 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: AJKXGBYZSYGOGR-UHFFFAOYSA-N

• 2,4,6-Trichloroanisole-D5
IUPAC Name: 1,3,5-trichloro-2,4-dideuterio-6-(trideuteriomethoxy)benzene | CAS Registry Number: 352439-08-8
Synonyms: 2,4,6-Trichloroanisole-d5, Tyrene-d5, 34023_RIEDEL, 34023_FLUKA, CTK8F3808, NSC 35142-d5, 1,3,5-Trichloro-2-methoxybenzene-d5, 1-Methoxy-2,4,6-trichlorobenzene-d5, 2-Methoxy-1,3,5-trichlorobenzene-d5, Methyl 2,4,6-Trichlorophenyl-d5 Ether, FT-0675439

Molecular Formula: C7H5Cl3OMolecular Weight: 216.503809 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: WCVOGSZTONGSQY-RHIBPKLGSA-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: C6H12O3Molecular Weight: 142.220 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: LXVSANCQXSSLPA-MWUKXHIBSA-N

• 2-Hydroxyestrone
IUPAC Name: (8R,9S,13S,14S)-2,3-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one | CAS Registry Number: 362-06-1
Synonyms: Catecholestrone, 2-HYDROXYESTRONE, CHEBI:1156, CID440623, LMST02010032, ZINC04096681, C05298, 2,3-Dihydroxyestra-1,3,5(10)-trien-17-one, Estra-1,3,5(10)-trien-17-one, 2,3-dihydroxy-

Molecular Formula: C18H22O3Molecular Weight: 286.365480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: SWINWPBPEKHUOD-JPVZDGGYSA-N

• 2-Chlorotoluene-3,4,5,6-D4
IUPAC Name: 1-chloro-2,3,4,5-tetradeuterio-6-methylbenzene | CAS Registry Number: 362049-57-8
Synonyms: 2-Chlorotoluene-3,4,5,6-d4, ACM362049578

Molecular Formula: C7H7ClMolecular Weight: 130.607 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: IBSQPLPBRSHTTG-QFFDRWTDSA-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: C27H46OMolecular Weight: 389.641 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: HVYWMOMLDIMFJA-GZKKNSGCSA-N

• 1-Adamantan-D15-amine
IUPAC Name: 2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecadeuterioadamantan-1-amine | CAS Registry Number: 33830-10-3
Synonyms: 1-Adamantan-d15-amine, Mantadine-d15, Symmetrel-d15, Mantadan-d15, Mantadix-d15, Virofral-d15, Lysovir-d15, Adekin-d15, Amantadine-d15 Hydrochloride, EXP-105-1-d15, NSC-83653-d15, ACM33830103, J-019334, Tricyclo[3.3.1.13,7]decan-d15-1-amine Hydrochloride

Molecular Formula: C10H17NMolecular Weight: 166.345 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: DKNWSYNQZKUICI-BXSQCBKHSA-N

• 1-Bromoheptane-7,7,7-D3
IUPAC Name: 7-bromo-1,1,1-trideuterioheptane | CAS Registry Number: 344253-18-5
Synonyms: ACM344253185

Molecular Formula: C7H15BrMolecular Weight: 182.119 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: LSXKDWGTSHCFPP-FIBGUPNXSA-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: C12H22O5Molecular Weight: 246.300080 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: FYVQCLGZFXHEGL-UHFFFAOYSA-N

• 2-Chloroaniline-4,6-D2
IUPAC Name: 2-chloro-4,6-dideuterioaniline | CAS Registry Number: 347840-10-2
Synonyms: 2-CHLOROANILINE-4,6-D2

Molecular Formula: C6H6ClNMolecular Weight: 129.583864 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: AKCRQHGQIJBRMN-DRSKVUCWSA-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: C13H11NMolecular Weight: 192.305 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: CFRFHWQYWJMEJN-DCWZJRGXSA-N

• 2-Despiperidyl-2-amino Repaglinide
IUPAC Name: 4-[2-[[(1S)-1-(2-aminophenyl)-3-methylbutyl]amino]-2-oxoethyl]-2-ethoxybenzoic acid | CAS Registry Number: 637301-29-2
Synonyms: Repaglinide M1 metabolite, CTK8E8145, 4-[2-[[(1S)-1-(2-Aminophenyl)-3-methylbutyl]amino]-2-oxoethyl]-2-ethoxybenzoic Acid

Molecular Formula: C22H28N2O4Molecular Weight: 384.468720 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: OSCVKZCOJUTUFD-IBGZPJMESA-N

• (+/-)-2-Methylnicotine
IUPAC Name: 3-methyl-2-(1-methylpyrrolidin-2-yl)pyridine | CAS Registry Number: 64114-31-4
Synonyms: CTK5C0727, Pyridine,2-methyl-3-(1-methyl-2-pyrrolidinyl)-

Molecular Formula: C11H16N2Molecular Weight: 176.258140 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: JJLIKMUSXYQPBX-UHFFFAOYSA-N

• 4-Aminobutyric-2,2-D2 acid
IUPAC Name: 4-amino-2,2-dideuteriobutanoic acid | CAS Registry Number: 67910-98-9
Synonyms: GABA-d2, 4-Aminobutyric acid-2,2-d2

Molecular Formula: C4H9NO2Molecular Weight: 105.132084 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: BTCSSZJGUNDROE-CBTSVUPCSA-N

• 3-Hydroxy carbamazepine
IUPAC Name: 9-hydroxybenzo[b][1]benzazepine-11-carboxamide | CAS Registry Number: 68011-67-6
Synonyms: 3-Hydroxycarbamazepine, MolPort-003-847-785, CID135290, ZINC06117175, 3-Hydroxy-5H-dibenz(b,f)azepine-5-carboxamide, C16602, 5H-Dibenz(b,f)azepine-5-carboxamide, 3-hydroxy-

Molecular Formula: C15H12N2O2Molecular Weight: 252.267980 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: QQCFBZCATDIWTH-UHFFFAOYSA-N

• (+)-(1-Oxyl-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl methanethiosulfonate
IUPAC Name: (1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy-methyl-oxo-sulfanylidene-$l^{6}-sulfane | CAS Registry Number: 681034-14-0
Synonyms: AG-G-59768, (+)-(1-OXYL-2,2,5,5-TETRAMETHYLPYRROLIDIN-3-YL)METHYL METHANETHIOSULFONATE, CTK5C7311, AG-G-59769, FT-0673452, FT-0673453

Molecular Formula: C10H21NO3S2Molecular Weight: 267.408640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: FEEBHMJXHAORCL-UHFFFAOYSA-N

• 1H-Imidazole
IUPAC Name: 1,2,4,5-tetradeuterioimidazole | CAS Registry Number: 6923-01-9
Synonyms: Imidazole-d4, 366021_ALDRICH, 437298_ALDRICH, 1H-Imidazole-1,2,4,5-d4, AKOS015913565, FT-0670295, I14-46568

Molecular Formula: C3H4N2Molecular Weight: 72.101907 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: RAXXELZNTBOGNW-MSWVZFBTSA-N

• 19-Hydroxyandrostendione-19-D2
IUPAC Name: (8R,9S,10S,13S,14S)-10-[dideuterio(hydroxy)methyl]-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione | CAS Registry Number: 71995-64-7
Synonyms: 19-Hydroxy Androstendione-19-d2, NSC 74233-d2, Androst-4-en-19-ol-3,17-dione-d2, Androst-4-ene-3,17-dione-19-ol-d2, 19-Hydroxyandrost-4-ene-3,17-dione-19,19-d2

Molecular Formula: C19H26O3Molecular Weight: 304.420264 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: XGUHPTGEXRHMQQ-HLWDEJRRSA-N

• 4-Hydroxy-3-(methoxy-D3)mandelic acid
IUPAC Name: 2-hydroxy-2-[4-hydroxy-3-(trideuteriomethoxy)phenyl]acetic acid | CAS Registry Number: 74495-70-8
Synonyms: Vanilinmandelic Acid-d3, HMMA-d3, VMA-d3, dl-Vanillomandelic Acid-d3, (+/-)-Vanilmandelic Acid-d3, CTK8F6020, 4-Hydroxy-3-methoxymandelic Acid-d3, AG-G-96168, 4-Hydroxy-3-(methoxy-d3)-mandelic Acid, 4-Hydroxy-3-(methoxy-D3)mandelic acid;, FT-0669753, [4-Hydroxy-3-(methoxy-d3)phenyl]glycolic Acid, |A,4-Dihydroxy-3-(methoxy-d3)benzeneacetic Acid, 3-(Methoxy-d3)-4-hydroxyphenylhydroxyacetic Acid

Molecular Formula: C9H10O5Molecular Weight: 201.191185 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: CGQCWMIAEPEHNQ-FIBGUPNXSA-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: C19H16O4Molecular Weight: 313.358749 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: PJVWKTKQMONHTI-ATTUOBAHSA-N

• 2-Bromo-3-methoxy-6-nitropyridine
IUPAC Name: 2-bromo-3-methoxy-6-nitropyridine | CAS Registry Number: 76066-07-4
Synonyms: 2-bromo-3-methoxy-6-nitropyridine, 6-Bromo-5-methoxy-2-nitropyridine, AG-H-03394, AC1Q4CY9, CTK5E2432, MolPort-003-356-053, 2-Bromo-3-methoxy-6-nitro-pyridine, 2-Bromo-3-methoxy-6-nitropyridine,, 2-Bromo-3-methoxy-6-nitropyridine;, ANW-36735, ZINC08737752, AKOS015835841, Pyridine,2-bromo-3-methoxy-6-nitro-, AB26771, QC-3901, AK-48488, KB-21192, FT-0663764, X7930, PYRIDINE, 2-BROMO-3-METHOXY-6-NITRO

Molecular Formula: C6H5BrN2O3Molecular Weight: 233.019500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: ZKEAOLVGPKCNCT-UHFFFAOYSA-N

• 1-Chloropropane-D7
IUPAC Name: 1-chloro-1,1,2,2,3,3,3-heptadeuteriopropane | CAS Registry Number: 761374-88-3
Synonyms: 1-Chloropropane-d7

Molecular Formula: C3H7ClMolecular Weight: 85.582 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: SNMVRZFUUCLYTO-NCKGIQLSSA-N

• 4-[(2R)-2-Hydroxy-3-[(1-methylethyl)amino]propoxy]-1-naphthalenol
IUPAC Name: 4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalen-1-ol | CAS Registry Number: 76792-97-7
Synonyms: 4-[(2R)-2-HYDROXY-3-[(1-METHYLETHYL)AMINO]PROPOXY]-1-NAPHTHALENOL, KB-188455

Molecular Formula: C16H21NO3Molecular Weight: 275.342840 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: CWEPACWBWIOYID-GFCCVEGCSA-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: C27H44O2Molecular Weight: 400.637060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: OSENKJZWYQXHBN-XVYZBDJZSA-N

• 7-Hydroxy cholesterol
IUPAC Name: (7R,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]phenanthrene-3,7-diol | CAS Registry Number: 566-27-8
Synonyms: 7alpha-Cholesterol, 7beta-Hydroxycholesterol, CID91473, (3beta,7beta)-Cholest-5-ene-3,7-diol, Cholest-5-ene-3,7-diol, (3beta,7beta)-

Molecular Formula: C27H46O2Molecular Weight: 402.652940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: OYXZMSRRJOYLLO-ISPKDCJXSA-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: C18H22O3Molecular Weight: 286.365480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: WPOCIZJTELRQMF-UJHHCITNSA-N

• 3alpha,21-Dihydroxy-5alpha-pregnan-20-one
IUPAC Name: 2-hydroxy-1-(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: 567-02-2
Synonyms: Tetrahydrodeoxycorticosterone, MolPort-003-892-444, CID270840, NSC113927

Molecular Formula: C21H34O3Molecular Weight: 334.492860 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: CYKYBWRSLLXBOW-UHFFFAOYSA-N

• (R)-5-Methylhydantoin
IUPAC Name: (5R)-5-methylimidazolidine-2,4-dione | CAS Registry Number: 55147-68-7
Synonyms: 5-Methylhydantoin, Prestwick_214, Methylhydantoin-5-(D), Prestwick0_000864, Prestwick1_000864, Prestwick2_000864, SPBio_002828, MolPort-003-848-901, ZINC01845971, CID1615267, NCGC00016847-01, NCGC00016847-02, CAS-40856-73-3, CAS-55147-68-7

Molecular Formula: C4H6N2O2Molecular Weight: 114.102640 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: VMAQYKGITHDWKL-UWTATZPHSA-N


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