Labeled Ligands
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(Rac)-Atropine-d3Cas#: 1276197-36-4Formula: C17H20D3NO3 Molecular Weight: 292.39SMILES: OCC(C1=CC=CC=C1)C(OC2CC3N(C(CC3)C2)C([2H])([2H])[2H])=O
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α-Cholestane-d4Cas#: 205529-74-4 Compound CID: 71314851Formula: C27H44D4 Molecular Weight: 376.69IUPAC Name: (5R,8R,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthreneSMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)CInChIKey: XIIAYQZJNBULGD-ZMFVDLGJSA-NInChI: InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21-,22+,23-,24+,25+,26+,27-/m1/s1/i7D2,11D2
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N-Acetyl-S-(carbamoylethyl)-L-cysteine-d3Cas#: 1795786-57-0 Compound CID: 71312851Formula: C8H11D3N2O4S Molecular Weight: 237.29IUPAC Name: (2R)-3-(3-amino-3-oxopropyl)sulfanyl-2-[(2,2,2-trideuterioacetyl)amino]propanoic acidSMILES: CC(=O)NC(CSCCC(=O)N)C(=O)OInChIKey: GGBCHNJZQQEQRX-FYFSCIFKSA-NInChI: InChI=1S/C8H14N2O4S/c1-5(11)10-6(8(13)14)4-15-3-2-7(9)12/h6H,2-4H2,1H3,(H2,9,12)(H,10,11)(H,13,14)/t6-/m0/s1/i1D3
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Phenindione-d5Cas#: 70711-53-4Formula: C15H5D5O2 Molecular Weight: 227.27SMILES: O=C1C(C2=C([2H])C([2H])=C([2H])C([2H])=C2[2H])C(C3=CC=CC=C31)=O
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1H-Benzotriazole-4,5,6,7-d4Cas#: 1185072-03-0 Compound CID: 136257763Formula: C6HD4N3 Molecular Weight: 123.15IUPAC Name: 4,5,6,7-tetradeuterio-1H-benzotriazoleSMILES: C1=CC=C2C(=C1)NN=N2InChIKey: QRUDEWIWKLJBPS-RHQRLBAQSA-NInChI: InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)/i1D,2D,3D,4DSynonyms: 1H-Benzotriazole-4,5,6,7-d4 | 4,5,6,7-tetradeuterio-1H-benzotriazole | CS-0566666 | 1185072-03-0 | HY-Y0688S | D99649...
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Pseudooxynicotine-d4hydrochlorideCas#: 764661-23-6 Compound CID: 12147166Formula: C10H12D4Cl2N2O Molecular Weight: 255.18IUPAC Name: 4-(methylamino)-1-(2,4,5,6-tetradeuteriopyridin-3-yl)butan-1-oneSMILES: CNCCCC(=O)C1=CN=CC=C1InChIKey: SGDIDUFQYHRMPR-TZMKMNDCSA-NInChI: InChI=1S/C10H14N2O/c1-11-6-3-5-10(13)9-4-2-7-12-8-9/h2,4,7-8,11H,3,5-6H2,1H3/i2D,4D,7D,8DSynonyms: DTXSID90478552 | 4-(methylamino)-1-(2,4,5,6-tetradeuteriopyridin-3-yl)butan-1-one | 4-(Methylamino)-1-(3-pyridyl-d4)-...
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Lyso GB3-d7Cas#: 2315262-44-1Formula: C36H60D7NO17 Molecular Weight: 792.96SMILES: OC[C@@H](O[C@H]([C@@H]([C@H]1O)O)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC[C@H](N)[C@H](O)/C=C/CCCCCCCCCCC([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])CO)[C@@H]1O[C@H]3O[C@@H]([C@@H]([C@@H]([C@H]3O)O)O)CO
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2-Quinoxalinecarboxylic acid-d4Cas#: 2244217-89-6 Compound CID: 12332262Formula: C9H2D4N2O2 Molecular Weight: 178.18SMILES: [2H]C1=C(C(=C2C(=C1[2H])N=CC(=N2)C(=O)O)[2H])[2H]
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Alverine-d5citrateCas#: 1215327-00-6 Compound CID: 46780131Formula: C26H30D5NO7 Molecular Weight: 478.57IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid;N-(1,1,2,2,2-pentadeuterioethyl)-3-phenyl-N-(3-phenylpropyl)propan-1-amineSMILES: CCN(CCCC1=CC=CC=C1)CCCC2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)OInChIKey: RYHCACJBKCOBTJ-LUIAAVAXSA-NInChI: InChI=1S/C20H27N.C6H8O7/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-8,11-14H,2,9-10,15-18H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/i1D3,2D2;Synonyms: 1215327-00-6 | Alverine-d5 Citrate | 2-hydroxypropane-1,2,3-tricarboxylic acid;N-(1,1,2,2,2-pentadeuterioethyl)-3-phe...
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17β-Estradiol-3-β-D-glucuronide-d3sodiumFormula: C24H28D3NaO8 Molecular Weight: 473.51SMILES: C[C@@]12[C@](CC([2H])([2H])[C@]2([2H])O)([H])[C@@]3([H])[C@@](CC1)([H])C4=CC=C(O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C(O[Na])=O)C=C4CC3
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Glycochenodeoxycholic acid 3-sulfate-d5disodiumFormula: C26H36D5NNa2O8S Molecular Weight: 578.68SMILES: O[C@H]1[C@]2([H])[C@@](CC[C@]3([C@@]2([H])CC[C@]3([H])[C@H](C)CCC(NCC(O[Na])=O)=O)C)([H])[C@@]4([C@](C([2H])([2H])[C@](C([2H])([2H])C4)([2H])OS(=O)(O[Na])=O)([H])C1)C
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Asoxime-d4dichlorideFormula: C14H12D4Cl2N4O3 Molecular Weight: 363.23SMILES: O/N=C/C1=CC=CC=[N+]1COC[N+]2=C([2H])C([2H])=C(C(N)=O)C([2H])=C2[2H].[Cl-].[Cl-]
