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Isotopically Labeled Compounds

Chemicals to which isotopes have been attached in order to label specific atoms. Isotopically labeled compounds are commonly used in synthetic chemistry, characterization techniques such as NMR, and biology.

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1

1-Hydroxy-2-(2-pyridinyl) Risedronate-d4 Hydrate (Major), TRC

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Molecular Weight (g/mol) 305.152
InChI Formula InChI=1S/C7H11NO7P2.H2O/c9-7(16(10,11)12,17(13,14)15)5-6-3-1-2-4-8-6;/h1-4,9H,5H2,(H2,10,11,12)(H2,13,14,15);1H2/i1D,2D,3D,4D;
Chemical Name or Material 1-Hydroxy-2-(2-pyridinyl) Risedronate-d4 Hydrate (Major)
SMILES O.[2H]c1nc(CC(O)(P(=O)(O)O)P(=O)(O)O)c([2H])c([2H])c1[2H]
Synonym [1-Hydroxy-2-(2-pyridinyl)ethylidene]bisphosphonic Acid-d4 Hydrate,NE 58018-d4 Hydrate,USP Risedronate Related Compound A-d4 Hydrate
Recommended Storage -20°C
IUPAC Name [1-hydroxy-1-phosphono-2-(3,4,5,6-tetradeuteriopyridin-2-yl)ethyl]phosphonic acid;hydrate
Molecular Formula C7 D4 H7 N O7 P2 . H2 O
Formula Weight 305.037
2

4-(6-Methoxy-3-pyridinyl)-1-piperazinecarboxylic Acid-d4 1,1-Dimethylethyl Ester, TRC

High-purity organic molecules and analytical standards, strategically delivered worldwide to empower innovation and commercial success.

Molecular Weight (g/mol) 201.22
InChI Formula InChI=1S/C9H15NO4/c10-8(7(11)12)1-3-9(4-2-8)13-5-6-14-9/h1-6,10H2,(H,11,12)
Chemical Name or Material 4-(6-Methoxy-3-pyridinyl)-1-piperazinecarboxylic Acid-d4 1,1-Dimethylethyl Ester
SMILES NC1(CCC2(CC1)OCCO2)C(=O)O
IUPAC Name 8-amino-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
Molecular Formula C9 H15 N O4
Formula Weight 201.1
3

1,3-Bis[(6-chloro-3-pyridinyl)methyl]-N-nitro-2-imidazolidinimine-d4 (imidazolidine-4,4,5,5-d4), CDN

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Percent Purity 98 atom % D, min 98% Chemical Purity
Molecular Weight (g/mol) 385.2413
InChI Formula InChI=1 S/C15H14Cl2N6O2/c16-13-3-1-11(7-18-13)9-21-5-6-22(15(21)20-23(24)25)10-12-2-4-14(17)19-8-12/h1-4,7-8 H,5-6,9-10H2/i5D2,6D2
Chemical Name or Material 1,3-Bis[(6-chloro-3-pyridinyl)methyl]-N-nitro-2-imidazolidinimine-4,4,5,5-D4
SMILES [2 H]C1([2 H])N(Cc2ccc(Cl)nc2)C(=N[N+](=O)[O-])N(Cc3ccc(Cl)nc3)C1([2 H])[2 H]
Synonym 1,3-Bis[(6-chloro-3-pyridinyl)methyl]-N-nitro-2-imidazolidinimine-4,4,5,5-D4,Imidacloprid Impurity 1-d4,1,3-Bis[(6-chloro-3-pyridinyl)methyl]-N-nitro-2-imidazolidinimine-d4 (imidazolidine-4,4,5,5-d4)
Recommended Storage +4°C
IUPAC Name N-[1,3-bis[(6-chloropyridin-3-yl)methyl]-4,4,5,5-tetradeuterioimidazolidin-2-ylidene]nitramide
Molecular Formula C15 D4 H10 Cl2 N6 O2
Formula Weight 384.0806 g/mol
4

N-[3-Amino-4-(methylamino)benzoyl]-N-2-pyridinyl-Beta-alanine-d3 Ethyl Ester, TRC

High-purity organic molecules and analytical standards, strategically delivered worldwide to empower innovation and commercial success.

Molecular Weight (g/mol) 345.411
InChI Formula InChI=1S/C18H22N4O3/c1-3-25-17(23)9-11-22(16-6-4-5-10-21-16)18(24)13-7-8-15(20-2)14(19)12-13/h4-8,10,12,20H,3,9,11,19H2,1-2H3/i2D3
Chemical Name or Material N-[3-Amino-4-(methylamino)benzoyl]-N-2-pyridinyl-beta-alanine-d3 Ethyl Ester
SMILES [2H]C([2H])([2H])Nc1ccc(cc1N)C(=O)N(CCC(=O)OCC)c2ccccn2
IUPAC Name ethyl 3-[[3-amino-4-(trideuteriomethylamino)benzoyl]-pyridin-2-ylamino]propanoate
Molecular Formula C18 D3 H19 N4 O3
Formula Weight 345.188
5

Piroxicam-d4 (pyridyl-d4), CDN

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Percent Purity 98 atom % D, min 98% Chemical Purity
Molecular Weight (g/mol) 335.371
InChI Formula InChI=1 S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19 H,1H3,(H,16,17,20)/i4D,5 D,8 D,9 D
Chemical Name or Material Piroxicam-D4 (pyridinyl-D4)
SMILES [2 H]c1nc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)c([2 H])c([2 H])c1[2 H]
Synonym Piroxicam D4 (pyridinyl D4),Piroxicam-D4 (pyridinyl-D4),4-Hydroxy-2-methyl-N-(2-pyridinyl-3,4,5,6-d4)-2 H-1,2-benzothiazine-3-carboxamide 1,1-dioxide,4-Hydroxy-2-methyl-N-(2-pyridyl-d4)-2 H-1,2-benzothiazine-3-carboxamide 1,1-dioxide,Piroxicam-d4,Piroxicam-d4 (pyridyl-d4)
Recommended Storage Room Temperature
IUPAC Name 4-hydroxy-2-methyl-1,1-dioxo-N-(3,4,5,6-tetradeuteriopyridin-2-yl)-1λ^{6},2-benzothiazine-3-carboxamide
Molecular Formula C15 D4 H9 N3 O4 S
Formula Weight 335.088 g/mol
7

rac-Cotinine-D3 1.0 mg/ml in Methanol, LoGiCal

LoGiCal's certified reference materials as neats, native solutions and stable isotope labelled solutions, with expert documentation and support. From forensic to clinical labs, choose LoGiCal for confidence, compliance, and analytical excellence.

8

YC/T 184-2004 Labelled Nitrosamines Mixture 690 100 μg/mL in Dichloromethane, Dr. Ehrenstorfer

Discover Dr. Ehrenstorfer’s certified reference materials: available in multiple formats, including multi-component regulatory mixtures, to power your food and environmental analysis with traceable, ISO-accredited quality

10

rac-Cotinine-D3 0.1 mg/ml in Methanol, LoGiCal

LoGiCal's certified reference materials as neats, native solutions and stable isotope labelled solutions, with expert documentation and support. From forensic to clinical labs, choose LoGiCal for confidence, compliance, and analytical excellence.

11

N-Methyl Omeprazole-d3 (Mixture of isomers with the methylated nitrogens of imidazole), TRC

High-purity organic molecules and analytical standards, strategically delivered worldwide to empower innovation and commercial success.

Molecular Weight (g/mol) 362.46
Chemical Name or Material N-Methyl Omeprazole-d3
SMILES O=S(CC1=C(C)C(OC)=C(C)C=N1)C(N2C([2H])([2H])[2H])=NC3=C2C=CC(OC)=C3.O=S(CC4=C(C)C(OC)=C(C)C=N4)C5=NC6=C(N5C([2H])([2H])[2H])C=C(OC)C=C6
Synonym 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1-methyl-1H-benzimidazole-d3,6-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1-methyl-1H-benzimidazole-d3
Recommended Storage -20°C
Molecular Formula C18H18D3N3O3S
12

Pantoprazole-d3, TRC

CAS: 922727-37-5 Molecular Formula: C16H12D3F2N3O4S Molecular Weight (g/mol): 386.39 Synonym: 6-(difluoromethoxy)-2-[[[3-methoxy-4-(methoxy-d3)-2-pyridinyl]methyl]sulfinyl]-1H-Benzimidazole,5-(difluoromethoxy)-2-[[(3,4-dimethoxy-d3-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole,(±)-Pantoprazole-d3,2-[[(3,4-Dimethoxy-d3-pyridin-2-yl)methyl]sulfinyl]-5-difluoromethoxy-1H-benzimidazole,5-(Difluoromethoxy)-2-[[(3,4-dimethoxy-d3-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole,5-(Difluoromethoxy)-2-[[(3,4-dimethoxy-d3-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole,BY 1023-d3,Pantocid-d3,Pantozol-d3,Protium-d3,SKF 96022-d3 SMILES: FC(F)OC1=CC=C2C(N=C(S(CC3=NC=CC(OC([2H])([2H])[2H])=C3OC)=O)N2)=C1

CAS 922727-37-5
Molecular Weight (g/mol) 386.39
SMILES FC(F)OC1=CC=C2C(N=C(S(CC3=NC=CC(OC([2H])([2H])[2H])=C3OC)=O)N2)=C1
Synonym 6-(difluoromethoxy)-2-[[[3-methoxy-4-(methoxy-d3)-2-pyridinyl]methyl]sulfinyl]-1H-Benzimidazole,5-(difluoromethoxy)-2-[[(3,4-dimethoxy-d3-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole,(±)-Pantoprazole-d3,2-[[(3,4-Dimethoxy-d3-pyridin-2-yl)methyl]sulfinyl]-5-difluoromethoxy-1H-benzimidazole,5-(Difluoromethoxy)-2-[[(3,4-dimethoxy-d3-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole,5-(Difluoromethoxy)-2-[[(3,4-dimethoxy-d3-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole,BY 1023-d3,Pantocid-d3,Pantozol-d3,Protium-d3,SKF 96022-d3
Molecular Formula C16H12D3F2N3O4S
13

Omeprazole-d3 (benzimidazole-4,6,7-d3), CDN

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Percent Purity 98 atom % D, min 98% Chemical Purity
CAS 934293-92-2
Molecular Weight (g/mol) 348.4346
InChI Formula InChI=1 S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8 H,9H2,1-4H3,(H,19,20)/i5D,6 D,7 D
Chemical Name or Material Omeprazole-d3 (benzimidazole-4,6,7-d3)
SMILES [2 H]c1c([2 H])c2[nH]c(nc2c([2 H])c1OC)S(=O)Cc3ncc(C)c(OC)c3C
Synonym 1 H-Benzimidazole-4,5,7-d3, 6-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]- (ACI),6-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1 H-benzimidazole-4,5,7-d3 (ACI),2-[(4-Methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-6-methoxy-4,5,7-trideuterio-1 H-benzimidazole,5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1 H-benzimidazole-4,6,7-d3, Omeprazole-d3,Omeprazole-D3 (benzimidazole-4,6,7-D3)
Recommended Storage Room Temperature
IUPAC Name 4,6,7-trideuterio-5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1 H-benzimidazole
Molecular Formula C17 D3 H16 N3 O3 S
Formula Weight 348.1335 g/mol
14

2-Pyridylacetic-alpha,alpha-d2 Acid-OD DCl, CDN

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Percent Purity 98 atom % D, min 98% Chemical Purity
CAS 1219802-51-3
Molecular Weight (g/mol) 177.6216
InChI Formula InChI=1 S/C7H7NO2.ClH/c9-7(10)5-6-3-1-2-4-8-6;/h1-4 H,5H2,(H,9,10);1 H/i5D2;/hD2
Chemical Name or Material (2-Pyridinyl)acetic Acid-O,2,2-D3 Deuterochloride
SMILES [2 H]Cl.[2 H]OC(=O)C([2 H])([2 H])c1ccccn1
Synonym 2-Pyridylacetic-α,α-d2 Acid-OD DCl,(2-Pyridinyl)acetic acid-O,2,2-D3 deuterochloride,2-Pyridylacetic acid-d3 deuteriochloride,2-Pyridylacetic acid-α,α,O-d3 deuterochloride
Recommended Storage Room Temperature
IUPAC Name (2 H)chlorane;deuterio 2,2-dideuterio-2-pyridin-2-ylacetate
Molecular Formula C7 D3 H4 N O2 . Cl D
Formula Weight 177.0495 g/mol
15

(±)-Cotinine-d4 (pyridine-d4), CDN

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Percent Purity 98 atom % D, min 98% Chemical Purity
CAS 350818-68-7
Molecular Weight (g/mol) 180.2397
InChI Formula InChI=1 S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9 H,4-5H2,1H3/i2D,3 D,6 D,7 D
Chemical Name or Material rac-Cotinine-D4 (pyridine-D4)
SMILES [2 H]c1nc([2 H])c(C2CCC(=O)N2C)c([2 H])c1[2 H]
Synonym 2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl-2,4,5,6-d4)- (9 CI),1-Methyl-5-(3-pyridinyl-2,4,5,6-d4)-2-pyrrolidinone,(±)-Cotinine-d4 (pyridine-d4),rac-Cotinine-D4 (pyridine-D4),rac-Cotinine-d4
Recommended Storage -20°C
IUPAC Name 1-methyl-5-(2,4,5,6-tetradeuteriopyridin-3-yl)pyrrolidin-2-one
Molecular Formula C10 D4 H8 N2 O
Formula Weight 180.1201 g/mol