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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 1,989 results
1

Gentamicin C1A Deuterated Pentaacetate Salt, TRC

Molecular Weight (g/mol): 449.5 Synonym: O-3-Deoxy-4-C-methyl-3-(methylamino)-?-L-arabinopyranosyl-(1-6)-O-[2,6-diamino-2,3,4,6-tetradeoxy-?-D-erythro-hexopyranosyl-(1-4)]-2-deoxy-D-streptamine Pentaacetate Salt Deuterated,Gentamicin D Acetate Deuterated,Gentamycin C1a Acetate Deuterated,Gentamicin C3 Acetate Deuterated IUPAC Name: (2R,3R,4R,5R)-2-(((1S,2S,3R,4S,6R)-4,6-diamino-3-(((2R,3R,6S)-3-amino-6-(aminomethyl)tetrahydro-2H-pyran-2-yl)oxy)-2-hydroxycyclohexyl)oxy)-5-methyl-4-(methylamino)tetrahydro-2H-pyran-3,5-diol (1)acetic acid(5) SMILES: NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](NC)[C@](O)(C)CO3)[C@H](N)C[C@@H]2N)[C@H](N)CC1

Molecular Weight (g/mol) 449.5
SMILES NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](NC)[C@](O)(C)CO3)[C@H](N)C[C@@H]2N)[C@H](N)CC1
Synonym O-3-Deoxy-4-C-methyl-3-(methylamino)-?-L-arabinopyranosyl-(1-6)-O-[2,6-diamino-2,3,4,6-tetradeoxy-?-D-erythro-hexopyranosyl-(1-4)]-2-deoxy-D-streptamine Pentaacetate Salt Deuterated,Gentamicin D Acetate Deuterated,Gentamycin C1a Acetate Deuterated,Gentamicin C3 Acetate Deuterated
IUPAC Name (2R,3R,4R,5R)-2-(((1S,2S,3R,4S,6R)-4,6-diamino-3-(((2R,3R,6S)-3-amino-6-(aminomethyl)tetrahydro-2H-pyran-2-yl)oxy)-2-hydroxycyclohexyl)oxy)-5-methyl-4-(methylamino)tetrahydro-2H-pyran-3,5-diol (1)acetic acid(5)
2

Glutathione Ammonium Salt-d5, TRC

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

Percent Purity >95
Molecular Weight (g/mol) 312.35
InChI Formula InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1/i1D2,2D2,5D
Chemical Name or Material Glutathione Ammonium Salt-d5
SMILES O=C(O)CNC([C@H](CS)NC(C([2H])([2H])C([2H])([2H])[C@]([2H])(N)C(O)=O)=O)=O
Synonym L-Glutamyl-L-cysteinyl-glycine Ammonium Salt-d5
Purity Grade Notes HPLC
Recommended Storage -20°C
Molecular Formula C10H12D5N3O6S (free acid)
3

4-Fluorobenzoic-d4 Acid, CDN

Discover 4000+ high-quality deuterated compounds, shipping directly from stock for speed. We offer many unique API’s, including active pharmaceutical ingredients, nitrosoamines, amino acids, steroids, gases, pesticides, and fatty acids.

Percent Purity 98 atom % D, min 98% Chemical Purity
CAS 93111-25-2
Molecular Weight (g/mol) 144.1365
InChI Formula InChI=1 S/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4 H,(H,9,10)/i1D,2 D,3 D,4 D
Chemical Name or Material 4-Fluorobenzoic Acid-D4
SMILES [2 H]c1c([2 H])c(C(=O)O)c([2 H])c([2 H])c1F
Synonym Benzoic-2,3,5,6-d4 acid, 4-fluoro- (9 CI, ACI),4-Fluorobenzoic-2,3,5,6-d4 acid (ACI),4-Fluorobenzoic-d4 acid,4-Fluorobenzoic acid-2,3,5,6-d4,4-Fluorobenzoic acid-d4,4-Fluorobenzoic Acid-D4
Recommended Storage Room Temperature
IUPAC Name 2,3,5,6-tetradeuterio-4-fluorobenzoic acid
Molecular Formula C7 D4 H F O2
Formula Weight 144.0525 g/mol
4

Trifluoroacetic acid-d, for NMR, 99.5 atom % D

CAS: 599-00-8 Molecular Formula: C2HF3O2 Molecular Weight (g/mol): 115.029 MDL Number: MFCD00044563 InChI Key: DTQVDTLACAAQTR-DYCDLGHISA-N PubChem CID: 71502 IUPAC Name: deuterio 2,2,2-trifluoroacetate SMILES: C(=O)(C(F)(F)F)O

PubChem CID 71502
CAS 599-00-8
Molecular Weight (g/mol) 115.029
MDL Number MFCD00044563
SMILES C(=O)(C(F)(F)F)O
IUPAC Name deuterio 2,2,2-trifluoroacetate
InChI Key DTQVDTLACAAQTR-DYCDLGHISA-N
Molecular Formula C2HF3O2
5

Trifluoroacetic acid-d, 99.5%(Isotopic)

CAS: 599-00-8 Molecular Formula: C2HF3O2 Molecular Weight (g/mol): 115.029 MDL Number: MFCD00044563 InChI Key: DTQVDTLACAAQTR-DYCDLGHISA-N Synonym: trifluoroacetic acid-d,deuterotrifluoroacetic acid,acetic acid-d, trifluoro,acetic acid-d,2,2,2-trifluoro,acetic acid-d, 2,2,2-trifluoro,trifluoroacetic acid-d tfa-d,trifluoroacetic acid-d, 99.5 atom % d,tfa-d,cf3cood,trifluoroacetic 2h acid PubChem CID: 71502 IUPAC Name: deuterio 2,2,2-trifluoroacetate SMILES: C(=O)(C(F)(F)F)O

PubChem CID 71502
CAS 599-00-8
Molecular Weight (g/mol) 115.029
MDL Number MFCD00044563
SMILES C(=O)(C(F)(F)F)O
Synonym trifluoroacetic acid-d,deuterotrifluoroacetic acid,acetic acid-d, trifluoro,acetic acid-d,2,2,2-trifluoro,acetic acid-d, 2,2,2-trifluoro,trifluoroacetic acid-d tfa-d,trifluoroacetic acid-d, 99.5 atom % d,tfa-d,cf3cood,trifluoroacetic 2h acid
IUPAC Name deuterio 2,2,2-trifluoroacetate
InChI Key DTQVDTLACAAQTR-DYCDLGHISA-N
Molecular Formula C2HF3O2
6

Acetic acid-d{4}, 99.5% (Isotopic)

CAS: 1186-52-3 Molecular Formula: C2H4O2 Molecular Weight (g/mol): 64.08 MDL Number: MFCD00051051 InChI Key: QTBSBXVTEAMEQO-GUEYOVJQSA-N Synonym: acetic acid-d4,acetic-d3 acid-d,2h3 acetic 2h acid,tetradeuteroacetic acid,2 h? ethan 2 h oic acid,acetic acid d4,2h4 acetic acid,cd3cood,acetic acid d,acetic acid-d4, 99.5 atom % d PubChem CID: 2723903 SMILES: [2H]OC(=O)C([2H])([2H])[2H]

PubChem CID 2723903
CAS 1186-52-3
Molecular Weight (g/mol) 64.08
MDL Number MFCD00051051
SMILES [2H]OC(=O)C([2H])([2H])[2H]
Synonym acetic acid-d4,acetic-d3 acid-d,2h3 acetic 2h acid,tetradeuteroacetic acid,2 h? ethan 2 h oic acid,acetic acid d4,2h4 acetic acid,cd3cood,acetic acid d,acetic acid-d4, 99.5 atom % d
InChI Key QTBSBXVTEAMEQO-GUEYOVJQSA-N
Molecular Formula C2H4O2
7

Trifluoroacetic acid-d, for NMR, 99 atom % D

CAS: 599-00-8 Molecular Formula: C2HF3O2 Molecular Weight (g/mol): 115.029 MDL Number: MFCD00044563 InChI Key: DTQVDTLACAAQTR-DYCDLGHISA-N PubChem CID: 71502 IUPAC Name: deuterio 2,2,2-trifluoroacetate SMILES: C(=O)(C(F)(F)F)O

PubChem CID 71502
CAS 599-00-8
Molecular Weight (g/mol) 115.029
MDL Number MFCD00044563
SMILES C(=O)(C(F)(F)F)O
IUPAC Name deuterio 2,2,2-trifluoroacetate
InChI Key DTQVDTLACAAQTR-DYCDLGHISA-N
Molecular Formula C2HF3O2
8

Acetic-d3 acid-d, for NMR, 99.5 atom % D

CAS: 1186-52-3 Molecular Formula: C2H4O2 Molecular Weight (g/mol): 64.08 MDL Number: MFCD00051051 InChI Key: QTBSBXVTEAMEQO-GUEYOVJQSA-N Synonym: acetic acid-d4,acetic-d3 acid-d,2h3 acetic 2h acid,tetradeuteroacetic acid,2 h? ethan 2 h oic acid,acetic acid d4,2h4 acetic acid,cd3cood,acetic acid d,acetic acid-d4, 99.5 atom % d PubChem CID: 2723903 IUPAC Name: deuterio 2,2,2-trideuterioacetate SMILES: [2H]OC(=O)C([2H])([2H])[2H]

PubChem CID 2723903
CAS 1186-52-3
Molecular Weight (g/mol) 64.08
MDL Number MFCD00051051
SMILES [2H]OC(=O)C([2H])([2H])[2H]
Synonym acetic acid-d4,acetic-d3 acid-d,2h3 acetic 2h acid,tetradeuteroacetic acid,2 h? ethan 2 h oic acid,acetic acid d4,2h4 acetic acid,cd3cood,acetic acid d,acetic acid-d4, 99.5 atom % d
IUPAC Name deuterio 2,2,2-trideuterioacetate
InChI Key QTBSBXVTEAMEQO-GUEYOVJQSA-N
Molecular Formula C2H4O2
9

Acetic acid-d, for NMR, 98 atom % D

CAS: 758-12-3 Molecular Formula: C2H4O2 Molecular Weight (g/mol): 61.058 MDL Number: MFCD00051050 InChI Key: QTBSBXVTEAMEQO-DYCDLGHISA-N Synonym: acetic acid-d,acetic acid-d1,monodeuteroacetic acid,acetic 2h acid,acetic acid-od,o-2h acetic acid,mono-deuteroacetic acid,ch3cood PubChem CID: 2723902 IUPAC Name: deuterio acetate SMILES: CC(=O)O

PubChem CID 2723902
CAS 758-12-3
Molecular Weight (g/mol) 61.058
MDL Number MFCD00051050
SMILES CC(=O)O
Synonym acetic acid-d,acetic acid-d1,monodeuteroacetic acid,acetic 2h acid,acetic acid-od,o-2h acetic acid,mono-deuteroacetic acid,ch3cood
IUPAC Name deuterio acetate
InChI Key QTBSBXVTEAMEQO-DYCDLGHISA-N
Molecular Formula C2H4O2
11

Formic acid-d2, for NMR, 99+ atom % D, 95% solution in D2O

CAS: 920-42-3 Molecular Formula: CH2O2 Molecular Weight (g/mol): 48.037 MDL Number: MFCD00037363 InChI Key: BDAGIHXWWSANSR-PFUFQJKNSA-N Synonym: formic acid-d2,2h formic 2 acid,dcood,2h2 formic acid,formic-d acid-d 6ci,7ci,8ci,9ci,formic-d acid-d, 95 wt% in deuterium oxide,formic acid-d2, 95 wt. % in d2o, 98 atom % d PubChem CID: 123092 IUPAC Name: deuterio deuterioformate SMILES: C(=O)O

PubChem CID 123092
CAS 920-42-3
Molecular Weight (g/mol) 48.037
MDL Number MFCD00037363
SMILES C(=O)O
Synonym formic acid-d2,2h formic 2 acid,dcood,2h2 formic acid,formic-d acid-d 6ci,7ci,8ci,9ci,formic-d acid-d, 95 wt% in deuterium oxide,formic acid-d2, 95 wt. % in d2o, 98 atom % d
IUPAC Name deuterio deuterioformate
InChI Key BDAGIHXWWSANSR-PFUFQJKNSA-N
Molecular Formula CH2O2
12

Sulfuric acid-d2, for NMR, 98 wt.% in D2O, 99.5+ atom % D

CAS: 13813-19-9 Molecular Formula: H2O4S Molecular Weight (g/mol): 100.08 MDL Number: MFCD00003542 InChI Key: QAOWNCQODCNURD-ZSJDYOACSA-N Synonym: sulfuric acid-d2,deuterosulfuric acid,dideuterosulfuric acid,sulphuric 2h2 acid,sulfuric acid-d2 solution,d2so4,dideuterosulfuric acid solution,2 h? sulfuric acid,sulfuric acid-d2, 98 wt% in deuterium oxide,deuterosulfuric acid min in d 2 o isotopic PubChem CID: 160992 IUPAC Name: dideuterio sulfate SMILES: [2H]OS(=O)(=O)O[2H]

PubChem CID 160992
CAS 13813-19-9
Molecular Weight (g/mol) 100.08
MDL Number MFCD00003542
SMILES [2H]OS(=O)(=O)O[2H]
Synonym sulfuric acid-d2,deuterosulfuric acid,dideuterosulfuric acid,sulphuric 2h2 acid,sulfuric acid-d2 solution,d2so4,dideuterosulfuric acid solution,2 h? sulfuric acid,sulfuric acid-d2, 98 wt% in deuterium oxide,deuterosulfuric acid min in d 2 o isotopic
IUPAC Name dideuterio sulfate
InChI Key QAOWNCQODCNURD-ZSJDYOACSA-N
Molecular Formula H2O4S