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 2,285 results

Cinnamic Acid-13C3, TRC

Molecular Formula: C613C3H8O2 Molecular Weight (g/mol): 151.14 Synonym: 3-Phenyl-2-propenoic Acid-1,2,3-13C3,3-Phenylacrylic Acid-1,2,3-13C3,NSC 623441-1,2,3-13C3,NSC 9189-1,2,3-13C3,Phenylacrylic Acid-1,2,3-13C3,β-Phenylacrylic Acid-1,2,3-13C3; IUPAC Name: (E)-3-phenyl(1,2,3-13C3)prop-2-enoic acid SMILES: O[13C](/[13C]=[13C]/C1=CC=CC=C1)=O

Pricing and Availability
Specifications

Molecular Weight (g/mol)	151.14
SMILES	O[13C](/[13C]=[13C]/C1=CC=CC=C1)=O
Synonym	3-Phenyl-2-propenoic Acid-1,2,3-13C3,3-Phenylacrylic Acid-1,2,3-13C3,NSC 623441-1,2,3-13C3,NSC 9189-1,2,3-13C3,Phenylacrylic Acid-1,2,3-13C3,β-Phenylacrylic Acid-1,2,3-13C3;
IUPAC Name	(E)-3-phenyl(1,2,3-13C3)prop-2-enoic acid
Molecular Formula	C613C3H8O2

trans-4-Hydroxy-3-methoxy-d3-cinnamic 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.

Pricing and Availability
Specifications

Percent Purity	99 atom % D, min 98% Chemical Purity
CAS	860605-59-0
Molecular Weight (g/mol)	197.202
InChI Formula	InChI=1 S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11 H,1H3,(H,12,13)/b5-3+/i1D3
Chemical Name or Material	trans-Ferulic Acid-d3
SMILES	[2 H]C([2 H])([2 H])Oc1cc(\C=C\C(=O)O)ccc1O
Synonym	2-Propenoic acid, 3-[4-hydroxy-3-(methoxy-d3)phenyl]-, (2 E)- (9 CI),(2 E)-3-(4-Hydroxy-3-[methoxy-d3)phenyl]-2-propenoic acid,(2 E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid-d3,(E)-Ferulic-D3 acid (methyl-D3),trans-4-Hydroxy-3-methoxycinnamic acid D3,trans-Ferulic-d3 acid
Recommended Storage	Room Temperature
IUPAC Name	(E)-3-[4-hydroxy-3-(trideuteriomethoxy)phenyl]prop-2-enoic acid
Molecular Formula	C10 D3 H7 O4
Formula Weight	197.077 g/mol

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

Pricing and Availability
Specifications

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)

Glutathione Ammonium Salt-d5, TRC

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Pricing and Availability
Specifications

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)

Percent Purity	98 atom % D, min 98% Chemical Purity
CAS	59154-43-7
Molecular Weight (g/mol)	223.46
InChI Formula	InChI=1 S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2
Chemical Name or Material	Lauric acid-d23
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(=O)O
Recommended Storage	Room Temperature
IUPAC Name	2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosadeuteriododecanoic acid
Molecular Formula	C12 2H23 H O2
Formula Weight	223.322 g/mol

Octanoic-d15 Acid, CDN

Pricing and Availability
Specifications

Percent Purity	98 atom % D, min 98% Chemical Purity
CAS	69974-55-6
Molecular Weight (g/mol)	159.3
InChI Formula	InChI=1 S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2
Chemical Name or Material	Octanoic acid-D15
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(=O)O
Recommended Storage	Room Temperature
IUPAC Name	2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecadeuteriooctanoic acid
Molecular Formula	C8 2H15 H O2
Formula Weight	159.2092 g/mol

L-Glutamic Acid-13C5, TRC

CAS: 55443-55-5 Molecular Formula: 13C5H9NO4 Molecular Weight (g/mol): 152.09 Synonym: L-Glutamic-1,2,3,4,5-13C5 Acid SMILES: N[13C@@H]([13CH2][13CH2][13C](O)=O)[13C](O)=O

Pricing and Availability
Specifications

CAS	55443-55-5
Molecular Weight (g/mol)	152.09
SMILES	N[13C@@H]([13CH2][13CH2][13C](O)=O)[13C](O)=O
Synonym	L-Glutamic-1,2,3,4,5-13C5 Acid
Molecular Formula	13C5H9NO4

Dodecanoic-12,12,12-d3 Acid, CDN

Pricing and Availability
Specifications

Percent Purity	99 atom % D, min 98% Chemical Purity
CAS	79050-22-9
Molecular Weight (g/mol)	203.34
InChI Formula	InChI=1 S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)/i1D3
Chemical Name or Material	Lauric Acid-d3
SMILES	[2 H]C([2 H])([2 H])CCCCCCCCCCC(=O)O
Synonym	Dodecanoic-12,12,12-d3 Acid,Lauric-12,12,12-d3 Acid,Dodecanoic-12,12,12-d3 acid (9 CI),Lauric-12,12,12-d3 acid (6 CI),[12,12,12-2H3]Dodecanoic acid,Dodecanoic acid-12,12,12-d3,Lauric acid-12,12,12-d3
Recommended Storage	Room Temperature
IUPAC Name	12,12,12-trideuteriododecanoic acid
Molecular Formula	C12 D3 H21 O2
Formula Weight	203.1965 g/mol

L-Glutamic Acid-13C5,15N, TRC

CAS: 202468-31-3 Molecular Formula: 13C5 H9 15N O4 Molecular Weight (g/mol): 153.086 Synonym: (2S)-2-Aminopentanedioic Acid-13C5,15N IUPAC Name: (2R)-2-(^{15}N)azanyl(1,2,3,4,5-^{13}C_{5})pentanedioic acid SMILES: [15NH2][13C@H]([13CH2][13CH2][13C](=O)O)[13C](=O)O

Pricing and Availability
Specifications

CAS	202468-31-3
Molecular Weight (g/mol)	153.086
SMILES	[15NH2][13C@H]([13CH2][13CH2][13C](=O)O)[13C](=O)O
Synonym	(2S)-2-Aminopentanedioic Acid-13C5,15N
IUPAC Name	(2R)-2-(^{15}N)azanyl(1,2,3,4,5-^{13}C_{5})pentanedioic acid
Molecular Formula	13C5 H9 15N O4

Octanoic-7,7,8,8,8-d5 Acid, CDN

Pricing and Availability
Specifications

Percent Purity	99 atom % D, min 98% Chemical Purity
Molecular Weight (g/mol)	149.242
InChI Formula	InChI=1 S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/i1D3,2D2
Chemical Name or Material	Octanoic-7,7,8,8,8-D5 Acid
SMILES	[2 H]C([2 H])([2 H])C([2 H])([2 H])CCCCCC(=O)O
Synonym	Octanoic acid-d5,Octanoic-7,7,8,8,8-D5 acid,1-Heptanecarboxylic-6,6,7,7,7-d5 acid,Caprylic acid-7,7,8,8,8-d5,7,7,8,8,8-Pentadeuterooctanoic acid
Recommended Storage	Room Temperature
IUPAC Name	7,7,8,8,8-pentadeuteriooctanoic acid
Molecular Formula	C8 D5 H11 O2
Formula Weight	149.146 g/mol

Octanoic-8,8,8-d3 Acid, CDN

Pricing and Availability
Specifications

Percent Purity	99 atom % D, min 98% Chemical Purity
CAS	156779-05-4
Molecular Weight (g/mol)	147.23
InChI Formula	InChI=1 S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/i1D3
Chemical Name or Material	Octanoic-8,8,8-D3 Acid
SMILES	[2 H]C([2 H])([2 H])CCCCCCC(=O)O
Synonym	Octanoic-8,8,8-d3 acid (9 CI),Octanoic acid-d3,Octanoic-8,8,8-D3 acid,8,8,8-d3-Octanoic acid,1-Heptanecarboxylic-7,7,7-d3 acid,Caprylic acid-8,8,8-d3,ω-Trideuterooctanoic acid
Recommended Storage	Room Temperature
IUPAC Name	8,8,8-trideuteriooctanoic acid
Molecular Formula	C8 D3 H13 O2
Formula Weight	147.134 g/mol

Octanoic-2,2-d2 Acid, CDN

Pricing and Availability
Specifications

Percent Purity	98 atom % D, min 98% Chemical Purity
CAS	64118-36-1
Molecular Weight (g/mol)	146.224
InChI Formula	InChI=1 S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/i7D2
Chemical Name or Material	Octanoic-2,2-D2 Acid
SMILES	[2 H]C([2 H])(CCCCCC)C(=O)O
Synonym	Octanoic-2,2-d2 acid (9 CI, ACI),α-Dideuterooctanoic acid,Octanoic acid-d2,Octanoic-2,2-D2 acid,2,2-d2-Octanoic acid,1-Heptanecarboxylic-1,1-d2 acid,Caprylic acid-α,α-d2
Recommended Storage	Room Temperature
IUPAC Name	2,2-dideuteriooctanoic acid
Molecular Formula	C8 D2 H14 O2
Formula Weight	146.128 g/mol

Dodecanoic-2,2-d2 Acid, CDN

Pricing and Availability
Specifications

Percent Purity	98 atom % D, min 98% Chemical Purity
CAS	64118-39-4
Molecular Weight (g/mol)	202.3301
InChI Formula	InChI=1 S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)/i11D2
Chemical Name or Material	Dodecanoic-2,2-D2 Acid
SMILES	[2 H]C([2 H])(CCCCCCCCCC)C(=O)O
Recommended Storage	Room Temperature
IUPAC Name	2,2-dideuteriododecanoic acid
Molecular Formula	C12 D2 H22 O2
Formula Weight	202.1902 g/mol

4-Fluorobenzoic-d4 Acid, CDN

Pricing and Availability
Specifications

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

trans-Cinnamic-d7 Acid, CDN

Pricing and Availability
Specifications

Percent Purity	98 atom % D, min 98% Chemical Purity
CAS	343338-31-8
Molecular Weight (g/mol)	155.2
InChI Formula	InChI=1 S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7 H,(H,10,11)/b7-6+/i1D,2 D,3 D,4 D,5 D,6 D,7 D
Chemical Name or Material	(2 E)-3-(Phenyl-2,3,4,5,6-d5)-2-propenoic-2,3-d2 Acid
SMILES	[2 H]\C(=C(\[2 H])/c1c([2 H])c([2 H])c([2 H])c([2 H])c1[2 H])\C(=O)O
Synonym	2-Propenoic-2,3-d2 acid, 3-(phenyl-2,3,4,5,6-d5)-, (2 E)- (ACI),(2 E)-3-(Phenyl-2,3,4,5,6-d5)-2-propenoic-2,3-d2 acid (ACI),2-Propenoic-2,3-d2 acid, 3-(phenyl-d5)-, (2 E)- (9 CI),trans-Cinnamic-d7 acid,trans-Cinnamic acid D7
Recommended Storage	Room Temperature
IUPAC Name	(E)-2,3-dideuterio-3-(2,3,4,5,6-pentadeuteriophenyl)prop-2-enoic acid
Molecular Formula	C9 D7 H O2
Formula Weight	155.0964 g/mol

Isotopically Labeled Compounds

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