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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Oxybenzone-(phenyl-13C6), TRC

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Pricing and Availability
Specifications

Percent Purity	>95
Molecular Weight (g/mol)	234.2
InChI Formula	InChI=1S/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3/i2+1,3+1,4+1,5+1,6+1,10+1
Chemical Name or Material	Oxybenzone-(phenyl-13C6)
SMILES	O=C(C1=C(O)C=C(C=C1)OC)[13C]2=[13CH][13CH]=[13CH][13CH]=[13CH]2
Purity Grade Notes	HPLC
Recommended Storage	+4°C
IUPAC Name	(2-hydroxy-4-methoxyphenyl)(phenyl-13C6)methanone
Molecular Formula	C813C6H12O3
Formula Weight	234.1

Mepanipyrim Phenyl-d5, TRC

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

Pricing and Availability
Specifications

Molecular Weight (g/mol)	228.3
InChI Formula	InChI=1S/C14H13N3/c1-3-7-13-10-11(2)15-14(17-13)16-12-8-5-4-6-9-12/h4-6,8-10H,1-2H3,(H,15,16,17)/i4D,5D,6D,8D,9D
Chemical Name or Material	Mepanipyrim Phenyl-d5
SMILES	[2H]c1c([2H])c([2H])c(Nc2nc(C)cc(n2)C#CC)c([2H])c1[2H]
Recommended Storage	-20°C
IUPAC Name	4-methyl-N-(2,3,4,5,6-pentadeuteriophenyl)-6-prop-1-ynyl-pyrimidin-2-amine
Molecular Formula	C14 D5 H8 N3
Formula Weight	228.1423

Phenyl-d5-acetonitrile, 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	98 atom % D, min 98% Chemical Purity
CAS	70026-36-7
Molecular Weight (g/mol)	122.179
InChI Formula	InChI=1 S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5 H,6H2/i1D,2 D,3 D,4 D,5 D
Chemical Name or Material	2-(2,3,4,5,6-pentadeuteriophenyl)acetonitrile
SMILES	[2 H]c1c([2 H])c([2 H])c(CC#N)c([2 H])c1[2 H]
Recommended Storage	Room Temperature
IUPAC Name	2-(2,3,4,5,6-pentadeuteriophenyl)acetonitrile
Molecular Formula	C8 2H5 H2 N
Formula Weight	122.089 g/mol

Percent Purity	98 atom % D, min 98% Chemical Purity
CAS	74881-77-9
Molecular Weight (g/mol)	140.217
InChI Formula	InChI=1 S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5 H/i1D,2 D,3 D,4 D,5 D
Chemical Name or Material	Phenyl Isothiocyanate D5
SMILES	[2 H]c1c([2 H])c([2 H])c(N=C=S)c([2 H])c1[2 H]
Synonym	Benzene-1,2,3,4,5-d5, 6-isothiocyanato- (ACI),6-Isothiocyanatobenzene-1,2,3,4,5-d5 (ACI),Benzene-d5, isothiocyanato- (9 CI),Isothiocyanatobenzene-2,3,4,5,6-d5,Isothiocyanic acid phenyl-d5 ester,Phenyl-d5 isothiocyanate,Thiocarbanil-d5,Phenyl isothiocyanate D5
Recommended Storage	Room Temperature
IUPAC Name	1,2,3,4,5-pentadeuterio-6-isothiocyanatobenzene
Molecular Formula	C7 D5 N S
Formula Weight	140.046 g/mol

Phenyl-d5-acetylene, CDN

Pricing and Availability
Specifications

Percent Purity	98 atom % D, min 98% Chemical Purity
CAS	25837-46-1
Molecular Weight (g/mol)	107.164
InChI Formula	InChI=1 S/C8H6/c1-2-8-6-4-3-5-7-8/h1,3-7 H/i3D,4 D,5 D,6 D,7 D
Chemical Name or Material	Ethynylbenzene-D5 (phenyl-D5)
SMILES	[2 H]c1c([2 H])c([2 H])c(C#C)c([2 H])c1[2 H]
Synonym	Benzene-1,2,3,4,5-d5, 6-ethynyl- (ACI),6-Ethynylbenzene-1,2,3,4,5-d5 (ACI),Benzene-d5, ethynyl- (8 CI, 9 CI),Pentadeuterophenylacetylene,Phenyl-d5-acetylene,Ethynylbenzene-d5,Ethynylbenzene-D5 (phenyl-D5),Phenylacetylene-d5
Recommended Storage	Room Temperature
IUPAC Name	1,2,3,4,5-pentadeuterio-6-ethynylbenzene
Molecular Formula	C8 D5 H
Formula Weight	107.078 g/mol

L-Phenyl-d5-alanine, CDN

Pricing and Availability
Specifications

Percent Purity	98 atom % D, min 98% Chemical Purity
CAS	56253-90-8
Molecular Weight (g/mol)	170.22
InChI Formula	InChI=1 S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8 H,6,10H2,(H,11,12)/t8-/m0/s1/i1D,2 D,3 D,4 D,5 D
Chemical Name or Material	L-Phenylalanine-D5
SMILES	[2 H]c1c([2 H])c([2 H])c(C[C@H](N)C(=O)O)c([2 H])c1[2 H]
Synonym	L-Phenylalanine-(phenyl-D5),L-Phenylalanine-2,3,4,5,6-d5,L-Phenyl-d5-alanine (9 CI),L-(2,3,4,5,6-2H5)Phenylalanine,L-Phenyl-2,3,4,5,6-d5-alanine,L-Phenylalanine-d5,[2H5]Phenylalanine,d5-ring-L-Phenylalanine
Recommended Storage	Room Temperature
IUPAC Name	(2 S)-2-amino-3-(2,3,4,5,6-pentadeuteriophenyl)propanoic acid
Molecular Formula	C9 2H5 H6 N O2
Formula Weight	170.1104 g/mol

2-Phenyl-d5-ethanol, CDN

Pricing and Availability
Specifications

Percent Purity	98 atom % D, min 98% Chemical Purity
CAS	35845-63-7
Molecular Weight (g/mol)	127.2
InChI Formula	InChI=1 S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9 H,6-7H2/i1D,2 D,3 D,4 D,5 D
Chemical Name or Material	Phenethyl Alcohol-d5
SMILES	[2 H]c1c([2 H])c([2 H])c(CCO)c([2 H])c1[2 H]
Synonym	Benzeneethanol-d5,(2-Hydroxyethyl)benzene-d5,2-Phenethanol-d5,2-Phenyl-1-ethanol-d5,2-Phenylethanol-d5,Phenylethyl Alcohol-d5,β-Phenethanol-d5,β-Phenethyl Alcohol-d5,β-Phenethylol-d5,β-Phenylethanol-d5,β-Phenylethyl Alcohol-d5,NSC 406252-d5,2-Phenyl-d5-ethanol
Recommended Storage	Room Temperature
IUPAC Name	2-(2,3,4,5,6-pentadeuteriophenyl)ethanol
Molecular Formula	C8 D5 H5 O
Formula Weight	127.1045 g/mol

Phenyl-d5-tin Trichloride, CDN

Pricing and Availability
Specifications

Percent Purity	99 atom % D, min 98% Chemical Purity
Molecular Weight (g/mol)	307.204
InChI Formula	InChI=1 S/C6H5.3 ClH.Sn/c1-2-4-6-5-3-1;;;;/h1-5 H;3*1 H;/q;;;;+3/p-3/i1D,2 D,3 D,4 D,5 D;;;;
Chemical Name or Material	Phenyl-d5-tin Trichloride
SMILES	[Cl-].[Cl-].[Cl-].[2 H]c1c([2 H])c([2 H])c([Sn+3 ])c([2 H])c1[2 H]
Recommended Storage	Room Temperature
IUPAC Name	(2,3,4,5,6-pentadeuteriophenyl)tin(3+);trichloride
Molecular Formula	C6 D5 Sn . 3 Cl
Formula Weight	306.879 g/mol

Gliclazide-d4 (phenyl-d4), CDN

Pricing and Availability
Specifications

Percent Purity	99 atom % D, min 98% Chemical Purity
CAS	1185039-30-8
Molecular Weight (g/mol)	327.44
InChI Formula	InChI=1 S/C15H21N3O3S/c1-11-5-7-14(8-6-11)22(20,21)17-15(19)16-18-9-12-3-2-4-13(12)10-18/h5-8,12-13 H,2-4,9-10H2,1H3,(H2,16,17,19)/i5D,6 D,7 D,8 D
Chemical Name or Material	Gliclazide-d4
SMILES	[2 H]c1c([2 H])c(c([2 H])c([2 H])c1C)S(=O)(=O)NC(=O)NN2CC3CCCC3C2
Recommended Storage	Room Temperature
IUPAC Name	1-(3,3 A,4,5,6,6 A-hexahydro-1 H-cyclopenta[c]pyrrol-2-yl)-3-(2,3,5,6-tetradeuterio-4-methylphenyl)sulfonylurea
Molecular Formula	C15 2H4 H17 N3 O3 S
Formula Weight	327.1555 g/mol

Pyrimethanil-d5 (phenyl-d5), CDN

Pricing and Availability
Specifications

Percent Purity	98 atom % D, min 98% Chemical Purity
CAS	2118244-83-8
Molecular Weight (g/mol)	204.28
InChI Formula	InChI=1 S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8 H,1-2H3,(H,13,14,15)/i3D,4 D,5 D,6 D,7 D
Chemical Name or Material	Pyrimethanil phenyl-d5
SMILES	[2 H]c1c([2 H])c([2 H])c(Nc2nc(C)cc(C)n2)c([2 H])c1[2 H]
Synonym	Pyrimethanil D5 (phenyl-D5),Pyrimethanil D5 (phenyl D5)
Recommended Storage	Room Temperature
IUPAC Name	4,6-dimethyl-N-(2,3,4,5,6-pentadeuteriophenyl)pyrimidin-2-amine
Molecular Formula	C12 2H5 H8 N3
Formula Weight	204.1423 g/mol

Sodium Phenyl-d5-pyruvate, CDN

Pricing and Availability
Specifications

Percent Purity	99 atom % D, min 96% Chemical Purity
Molecular Weight (g/mol)	191.171
InChI Formula	InChI=1 S/C9H8O3.Na/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h1-5 H,6H2,(H,11,12);/q;+1/p-1/i1D,2 D,3 D,4 D,5 D;
Chemical Name or Material	Sodium Phenylpyruvate-D5 (phenyl-D5)
SMILES	[Na+].[2 H]c1c([2 H])c([2 H])c(CC(=O)C(=O)[O-])c([2 H])c1[2 H]
Synonym	α-Oxobenzene-d5-propanoic acid sodium salt,2-Oxo-3-(phenyl-d5)propanoic acid sodium salt,2-Oxo-3-phenyl-d5-propionic acid sodium salt,Sodium 3-phenyl-d5-pyruvate,Sodium phenylpyruvate-D5 (phenyl-D5),β-(Phenyl-d5)pyruvic acid sodium salt
Recommended Storage	-20°C
IUPAC Name	sodium;2-oxo-3-(2,3,4,5,6-pentadeuteriophenyl)propanoate
Molecular Formula	C9 D5 H2 O3 . Na
Formula Weight	191.061 g/mol

DL-Phenyl-d5-alanine, CDN

Pricing and Availability
Specifications

Percent Purity	98 atom % D, min 98% Chemical Purity
CAS	284664-89-7
Molecular Weight (g/mol)	170.22
InChI Formula	InChI=1 S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8 H,6,10H2,(H,11,12)/i1D,2 D,3 D,4 D,5 D
Chemical Name or Material	DL-Phenylalanine-D5 (phenyl-D5)
SMILES	O=C(C(CC1=C([2 H])C([2 H])=C([2 H])C([2 H])=C1[2 H])N)O
Synonym	Phenyl-d5-alanine (9 CI)
Recommended Storage	Room Temperature
IUPAC Name	2-Amino-3-(2,3,4,5,6-pentadeuteriophenyl)propanoic acid
Molecular Formula	C9H6D5NO2
Formula Weight	170.11 g/mol

Clotrimazole-d5 (phenyl-d5), CDN

Pricing and Availability
Specifications

Percent Purity	99 atom % D, min 98% Chemical Purity
CAS	1185076-41-8
Molecular Weight (g/mol)	349.868
InChI Formula	InChI=1 S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17 H/i1D,3 D,4 D,9 D,10 D
Chemical Name or Material	Clotrimazole-d5
SMILES	[2 H]c1c([2 H])c([2 H])c(c([2 H])c1[2 H])C(c2ccccc2)(c3ccccc3Cl)n4ccnc4
Synonym	1-[(2-Chlorophenyl)-(2,3,4,5,6-pentadeuteriophenyl)-phenylmethyl]imidazole,1-[(2-Chlorophenyl)(phenyl-d5)phenylmethyl]-1 H-imidazole,1-[(o-Chlorophenyl)(phenyl)(phenyl-d5)methyl]imidazole,Clotrimazole-d5,Clotrimazole-D5 (phenyl-D5)
Recommended Storage	Room Temperature
IUPAC Name	1-[(2-chlorophenyl)-(2,3,4,5,6-pentadeuteriophenyl)-phenylmethyl]imidazole
Molecular Formula	C22 D5 H12 Cl N2
Formula Weight	349.139 g/mol

2-Phenyl-d5-ethylamine, CDN

Pricing and Availability
Specifications

Percent Purity	99 atom % D, min 98% Chemical Purity
CAS	912627-99-7
Molecular Weight (g/mol)	126.2105
InChI Formula	InChI=1 S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5 H,6-7,9H2/i1D,2 D,3 D,4 D,5 D
Chemical Name or Material	2-Phenylethylamine-D5 (phenyl-D5)
SMILES	[2 H]c1c([2 H])c([2 H])c(CCN)c([2 H])c1[2 H]
Synonym	Benzene-d5-ethanamine (9 CI),2-Phenyl-d5-ethylamine,Benzene-2,3,4,5,6-d5-ethanamine,Phenethylamine-d5,2-(Phenyl-d5)ethylamine,2-Phenylethylamine-D5 (phenyl-D5)
Recommended Storage	Room Temperature
IUPAC Name	2-(2,3,4,5,6-pentadeuteriophenyl)ethanamine
Molecular Formula	C8 D5 H6 N
Formula Weight	126.1205 g/mol

Phenyl-d5-tin Trichloride, TRC

Molecular Formula: C6 D5 Sn . 3 Cl Molecular Weight (g/mol): 307.204 IUPAC Name: (2,3,4,5,6-pentadeuteriophenyl)tin(3+);trichloride SMILES: [Cl-].[Cl-].[Cl-].[2H]c1c([2H])c([2H])c([Sn+3])c([2H])c1[2H]

Pricing and Availability
Specifications

Molecular Weight (g/mol)	307.204
SMILES	[Cl-].[Cl-].[Cl-].[2H]c1c([2H])c([2H])c([Sn+3])c([2H])c1[2H]
IUPAC Name	(2,3,4,5,6-pentadeuteriophenyl)tin(3+);trichloride
Molecular Formula	C6 D5 Sn . 3 Cl

Isotopically Labeled Compounds

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