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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 – 15 of 97 results
1

Glycine-1-13C, TRC

CAS: 20110-59-2 Molecular Formula: 13C C H5 N O2 Molecular Weight (g/mol): 76.059 Synonym: (Carboxy-13C)-glycine IUPAC Name: 2-aminoacetic acid SMILES: NC[13C](=O)O

CAS 20110-59-2
Molecular Weight (g/mol) 76.059
SMILES NC[13C](=O)O
Synonym (Carboxy-13C)-glycine
IUPAC Name 2-aminoacetic acid
Molecular Formula 13C C H5 N O2
2

Suberyl Glycine-13C2,15N, TRC

Molecular Formula: 13C2 C8 H17 15N O5 Molecular Weight (g/mol): 234.22 Synonym: 8-[(Carboxymethyl)amino]-8-oxooctanoic Acid,-13C2,15N Suberylglycine-13C2,15N,Suberylglycine-13C2,15N (glycine-13C2,15N) IUPAC Name: 8-(hydroxycarbonyl(1^{13}C)methylamino)-8-oxooctanoic acid SMILES: O[13C](=O)[13CH2][15NH]C(=O)CCCCCCC(=O)O

Molecular Weight (g/mol) 234.22
SMILES O[13C](=O)[13CH2][15NH]C(=O)CCCCCCC(=O)O
Synonym 8-[(Carboxymethyl)amino]-8-oxooctanoic Acid,-13C2,15N Suberylglycine-13C2,15N,Suberylglycine-13C2,15N (glycine-13C2,15N)
IUPAC Name 8-(hydroxycarbonyl(1^{13}C)methylamino)-8-oxooctanoic acid
Molecular Formula 13C2 C8 H17 15N O5
3

Hexanoyl-d11 Glycine, TRC

Molecular Formula: C8 D11 H4 N O3 Molecular Weight (g/mol): 184.28 Synonym: N-(1-Oxohexyl)glycine-d11,Caproylglycine-d11,N-Caproylglycine-d11,NSC 224460-d11,n-Hexanoylglycine-d11,N-Hexanoyl-d11-glycine,N-(1-Oxohexyl-2,2,3,3,4,4,5,5,6,6,6-d11)glycine,N-Hexanoyl-d11-glycine,N-Hexanoylglycine-D11 (hexanoyl-D11) IUPAC Name: 2-(2,2,3,3,4,4,5,5,6,6,6-undecadeuteriohexanoylamino)acetic acid SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)NCC(=O)O

Molecular Weight (g/mol) 184.28
SMILES [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)NCC(=O)O
Synonym N-(1-Oxohexyl)glycine-d11,Caproylglycine-d11,N-Caproylglycine-d11,NSC 224460-d11,n-Hexanoylglycine-d11,N-Hexanoyl-d11-glycine,N-(1-Oxohexyl-2,2,3,3,4,4,5,5,6,6,6-d11)glycine,N-Hexanoyl-d11-glycine,N-Hexanoylglycine-D11 (hexanoyl-D11)
IUPAC Name 2-(2,2,3,3,4,4,5,5,6,6,6-undecadeuteriohexanoylamino)acetic acid
Molecular Formula C8 D11 H4 N O3
4

Tiglyl Glycine-13C2,15N, TRC

Molecular Formula: 13C2 C5 H11 15N O3 Molecular Weight (g/mol): 160.146 Synonym: N-[(2E)-2-Methyl-1-oxo-2-buten-1-yl]glycine-13C2,15N,N-Tigloylglycine-13C2,15N,N-Tiglylglycine-13C2,15N; IUPAC Name: 2-[[(E)-2-methylbut-2-enoyl]amino]acetic acid SMILES: C\C=C(/C)\C(=O)[15NH][13CH2][13C](=O)O

Molecular Weight (g/mol) 160.146
SMILES C\C=C(/C)\C(=O)[15NH][13CH2][13C](=O)O
Synonym N-[(2E)-2-Methyl-1-oxo-2-buten-1-yl]glycine-13C2,15N,N-Tigloylglycine-13C2,15N,N-Tiglylglycine-13C2,15N;
IUPAC Name 2-[[(E)-2-methylbut-2-enoyl]amino]acetic acid
Molecular Formula 13C2 C5 H11 15N O3
5

Glycine-15N,d2, TRC

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Molecular Weight (g/mol) 78.072
InChI Formula InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/i1D2,3+1
Chemical Name or Material Glycine-15N,d2
SMILES [2H]C([2H])([15NH2])C(=O)O
Synonym 2-Aminoacetic Acid-15N,d2,Aciport-15N,d2,Aminoethanoic Acid-15N,d2,Glicoamin-15N,d2,Glycocoll-15N,d2,Glycolixir-15N,d2,Glycosthene-15N,d2,Gyn-Hydralin-15N,d2,H 1-15N,d2,NSC 25936-15N,d2,NSC 2916-15N,d2,NSC 54188-15N,d2,Padil-15N,d2
Recommended Storage +4°C
IUPAC Name 2-(15N)azanyl-2,2-dideuterioacetic acid
Molecular Formula C2 D2 H3 15N O2
Formula Weight 78.042
6

Hexanoyl Glycine-13D2,15N, TRC

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Molecular Weight (g/mol) 176.19
InChI Formula InChI=1S/C8H15NO3/c1-2-3-4-5-7(10)9-6-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12)/i6+1,8+1,9+1
Chemical Name or Material Hexanoyl Glycine-13C2,15N
SMILES O=C([15N][13C][13C](O)=O)CCCCC
Synonym N-(1-Oxohexyl)glycine-13C2,15N,Caproylglycine-13C2,15N,N-Caproylglycine-13C2,15N,NSC 224460,n-Hexanoylglycine-13C2,15N
Recommended Storage +4°C
Molecular Formula C613C2H1515NO3
7

N-Phosphonomethyl-d2-glycine, CDN

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Percent Purity 99 atom % D, min 98% Chemical Purity
CAS 2733532-11-9
Molecular Weight (g/mol) 171.09
InChI Formula InChI=1 S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)/i2D2
Chemical Name or Material Glyphosate-C3-d2
SMILES [2 H]C([2 H])(NCC(=O)O)P(=O)(O)O
Synonym N-(Phosphonomethyl)glycine-C3-d2,(Carboxymethylamino)methylphosphonic Acid-C3-d2,Phosphonomethylglycine-C3-d2,Accord-C3-d2,Glyphomax-C3-d2,Rebel Garden-C3-d2,Roundup Max-C3-d2,Silglif-C3-d2,Glyphosate-d2,Glyphosate-D2 (phosphonomethyl-D2),N-(Phosphonomethyl-d2)glycine,N-Phosphonomethyl-d2-glycine
Recommended Storage Room Temperature
IUPAC Name 2-[[dideuterio(phosphono)methyl]amino]acetic acid
Molecular Formula C3 D2 H6 N O5 P
Formula Weight 171.0266 g/mol
8

Glutathione (glycine-13C2,15N) Sodium, TRC

Molecular Formula: C813C2H17N215NO6S •xNa Molecular Weight (g/mol): 310.302299 Synonym: L-Glutamyl-L-cysteinyl-glycine-3C2,15N Sodium Salt SMILES: O[13C]([13C]([H])([15N](C([C@@H](NC(CC[C@H](N)C(O)=O)=O)CS)=O)[H])[H])=O

Molecular Weight (g/mol) 310.302299
SMILES O[13C]([13C]([H])([15N](C([C@@H](NC(CC[C@H](N)C(O)=O)=O)CS)=O)[H])[H])=O
Synonym L-Glutamyl-L-cysteinyl-glycine-3C2,15N Sodium Salt
Molecular Formula C813C2H17N215NO6S •xNa
9

N-Hexadecanoyl-d31-glycine, CDN

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Percent Purity 98 atom % D, min 98% Chemical Purity
Molecular Weight (g/mol) 344.666
InChI Formula InChI=1 S/C18H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(21)22/h2-16H2,1H3,(H,19,20)(H,21,22)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2
Chemical Name or Material N-Hexadecanoylglycine-D31 (N-hexadecanoyl-D31)
SMILES [2 H]C([2 H])([2 H])C([2 H])([2 H])C([2 H])([2 H])C([2 H])([2 H])C([2 H])([2 H])C([2 H])([2 H])C([2 H])([2 H])C([2 H])([2 H])C([2 H])([2 H])C([2 H])([2 H])C([2 H])([2 H])C([2 H])([2 H])C([2 H])([2 H])C([2 H])([2 H])C([2 H])([2 H])C(=O)NCC(=O)O
Synonym N-(1-Oxohexadecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-d31)glycine,2-([2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-2H31]Hexadecanoylamino)acetic acid,N-Hexadecanoyl-d31-glycine,N-Palmitoyl-d31-glycine,Palmitylglycine-d31,N-Hexadecanoylglycine-D31 (N-hexadecanoyl-D31)
Recommended Storage Room Temperature
IUPAC Name 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuteriohexadecanoylamino)acetic acid
Molecular Formula C18 D31 H4 N O3
Formula Weight 344.456 g/mol
10

N-Benzoyl-d5-glycine, CDN

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Percent Purity 98 atom % D, min 98% Chemical Purity
CAS 53518-98-2
Molecular Weight (g/mol) 184.2
InChI Formula InChI=1 S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5 H,6H2,(H,10,13)(H,11,12)/i1D,2 D,3 D,4 D,5 D
Chemical Name or Material Hippuric Acid-d5
SMILES [2 H]c1c([2 H])c([2 H])c(C(=O)NCC(=O)O)c([2 H])c1[2 H]
Recommended Storage Room Temperature
IUPAC Name 2-[(2,3,4,5,6-pentadeuteriobenzoyl)amino]acetic acid
Molecular Formula C9 2H5 H4 N O3
Formula Weight 184.0896 g/mol
11

N-Hexanoyl-d11-glycine, CDN

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Percent Purity 99 atom % D, min 98% Chemical Purity
Molecular Weight (g/mol) 184.28
InChI Formula InChI=1 S/C8H15NO3/c1-2-3-4-5-7(10)9-6-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12)/i1D3,2D2,3D2,4D2,5D2
Chemical Name or Material Hexanoyl-d11 Glycine
SMILES [2 H]C([2 H])([2 H])C([2 H])([2 H])C([2 H])([2 H])C([2 H])([2 H])C([2 H])([2 H])C(=O)NCC(=O)O
Synonym N-(1-Oxohexyl)glycine-d11,Caproylglycine-d11,N-Caproylglycine-d11,NSC 224460-d11,n-Hexanoylglycine-d11,N-Hexanoyl-d11-glycine,N-(1-Oxohexyl-2,2,3,3,4,4,5,5,6,6,6-d11)glycine,N-Hexanoyl-d11-glycine,N-Hexanoylglycine-D11 (hexanoyl-D11)
Recommended Storage Room Temperature
IUPAC Name 2-(2,2,3,3,4,4,5,5,6,6,6-undecadeuteriohexanoylamino)acetic acid
Molecular Formula C8 D11 H4 N O3
Formula Weight 184.1742 g/mol
12

N-Dodecanoyl-d23-glycine, CDN

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Percent Purity 98 atom % D, min 98% Chemical Purity
Molecular Weight (g/mol) 280.51
InChI Formula InChI=1 S/C14H27NO3/c1-2-3-4-5-6-7-8-9-10-11-13(16)15-12-14(17)18/h2-12H2,1H3,(H,15,16)(H,17,18)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2
Chemical Name or Material N-Dodecanoylglycine-d23
SMILES O=C(NCC(O)=O)C([2 H])([2 H])C([2 H])([2 H])C([2 H])([2 H])C([2 H])([2 H])C([2 H])([2 H])C([2 H])([2 H])C([2 H])([2 H])C([2 H])([2 H])C([2 H])([2 H])C([2 H])([2 H])C([2 H])([2 H])[2 H]
Synonym Lauroylglycine-d23,N-Lauroylglycine-d23,NSC 404235-d23,N-(1-Oxododecyl)glycine-d23
Recommended Storage Room Temperature
IUPAC Name (dodecanoyl-d23)glycine
Molecular Formula C14H4D23NO3
Formula Weight 280.34 g/mol
13

Glycine-d5, CDN

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14

N-Butyryl-d7-glycine, CDN

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Percent Purity 98 atom % D, min 98% Chemical Purity
Molecular Weight (g/mol) 152.2
InChI Formula InChI=1 S/C6H11NO3/c1-2-3-5(8)7-4-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)/i1D3,2D2,3D2
Chemical Name or Material Butyrylglycine-d7
SMILES [2 H]C([2 H])([2 H])C([2 H])([2 H])C([2 H])([2 H])C(=O)NCC(=O)O
Synonym N-(1-Oxobutyl)glycine-d7,N-Butyrylglycine-d7,(Butyrylamino)acetic Acid-d7,N-Butanoylglycine-d7,N-(1-Oxobutyl-2,2,3,3,4,4,4-d7)glycine,N-Butyryl-d7-glycine,N-Butanoyl-d7-glycine,N-Butanoylglycine-D7 (butanoyl-D7)
Recommended Storage Room Temperature
IUPAC Name 2-(2,2,3,3,4,4,4-heptadeuteriobutanoylamino)acetic acid
Molecular Formula C6 D7 H4 N O3
Formula Weight 152.1178 g/mol
15

N-Propionyl-d5-glycine, CDN

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Percent Purity 99 atom % D, min 98% Chemical Purity
Molecular Weight (g/mol) 136.161
InChI Formula InChI=1 S/C5H9NO3/c1-2-4(7)6-3-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)/i1D3,2D2
Chemical Name or Material Propionyl-d5 Glycine
SMILES [2 H]C([2 H])([2 H])C([2 H])([2 H])C(=O)NCC(=O)O
Synonym N-(1-Oxopropyl-2,2,3,3,3-d5)glycine,N-Propionyl-d5-glycine,N-Propionylglycine-D5 (propionyl-D5)
Recommended Storage Room Temperature
IUPAC Name 2-(2,2,3,3,3-pentadeuteriopropanoylamino)acetic acid
Molecular Formula C5 D5 H4 N O3
Formula Weight 136.09 g/mol