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.

1 – 15 of 3,386 results

Flumazenil-D5, TRC

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Pricing and Availability
Specifications

Molecular Weight (g/mol)	308.31917
InChI Formula	InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3/i1D3,3D2
Chemical Name or Material	Flumazenil-D5 (ethyl-D5)
SMILES	[2H]C([2H])([2H])C([2H])([2H])OC(=O)c1ncn2c1CN(C)C(=O)c3cc(F)ccc23
Synonym	8-Fluoro-5,6-dihydro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic Acid Ethyl Ester-D5,Anexate-D5,Flumazepil-D5,Flumenazil-D5,Lanexat-D5,Mazicon-D5,Ro 15-1788,-D5 Ro 15-1788/000-D5,Ro 151788-D5,Ro 1722-D5,Ro 41-8157-D5,Romazicon-D5,Flumazenil-D5 (ethyl-D5),Flumazenil-d5,Ethyl-d5 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate,8-Fluoro-5,6-dihydro-5-methyl-6-oxo-4H-Imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl-d5 ester
Recommended Storage	+4°C
IUPAC Name	1,1,2,2,2-pentadeuterioethyl 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
Molecular Formula	C15 H9 D5 F N3 O3
Formula Weight	308.1333

Indene-d3, TRC

CAS: 770-96-7 Molecular Formula: C9H5D3 Molecular Weight (g/mol): 119.18 Synonym: Inden-d3,Indonaphthene-d3,NSC 9270-d3,1H-Indene-d3 IUPAC Name: 1H-indene-1,1,3-d3 SMILES: [2H]C1=CC([2H])([2H])C2=CC=CC=C21

Pricing and Availability
Specifications

CAS	770-96-7
Molecular Weight (g/mol)	119.18
SMILES	[2H]C1=CC([2H])([2H])C2=CC=CC=C21
Synonym	Inden-d3,Indonaphthene-d3,NSC 9270-d3,1H-Indene-d3
IUPAC Name	1H-indene-1,1,3-d3
Molecular Formula	C9H5D3

Farnesalacetone-d6, TRC

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Pricing and Availability
Specifications

Molecular Weight (g/mol)	267.461
InChI Formula	InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+/i5D3,14D2
Chemical Name or Material	Farnesalacetone-d6
SMILES	[2H]C([2H])([2H])C(=O)C([2H])([2H])C\C=C(/C)\CC\C=C(/C)\CCC=C(C)C
Synonym	6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one-d6
IUPAC Name	(5E,9E)-1,1,1,3,3-pentadeuterio-6,10,14-trimethylpentadeca-5,9,13-trien-2-one
Molecular Formula	C18 D5 H25 O
Formula Weight	267.261

Erythritol-13C4, TRC

Molecular Formula: 13C4H10O4 Molecular Weight (g/mol): 126.09 Synonym: C* Eridex 16954-13C4,C*Eridex-13C4,Cargill Zerose 16957-13C4,Erythrit-13C4,Erythritol 100M-13C4,Erythrol-13C4,F 8015-13C4,Lakanto-S-13C4,Mesoerythritol-13C4,NIK 242-13C4,NSC 8099-13C4,Phycitol-13C4,Zerose-13C4,Zerose 01657-13C4,meso-Erythritol-13C4 SMILES: O[13C][13C@@](O)[13C@@](O)[13C]O

Pricing and Availability
Specifications

Molecular Weight (g/mol)	126.09
SMILES	O[13C][13C@@](O)[13C@@](O)[13C]O
Synonym	C* Eridex 16954-13C4,C*Eridex-13C4,Cargill Zerose 16957-13C4,Erythrit-13C4,Erythritol 100M-13C4,Erythrol-13C4,F 8015-13C4,Lakanto-S-13C4,Mesoerythritol-13C4,NIK 242-13C4,NSC 8099-13C4,Phycitol-13C4,Zerose-13C4,Zerose 01657-13C4,meso-Erythritol-13C4
Molecular Formula	13C4H10O4

Carbamazepine-d2,15N, TRC

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Pricing and Availability
Specifications

Percent Purity	>95
Molecular Weight (g/mol)	239.27
InChI Formula	InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)/i7D,8D,16+1
Chemical Name or Material	Carbamazepine-d2,15N
SMILES	[15NH2]C(N(C1=C2C=CC=C1[2H])C3=C(C=C2)C=CC=C3[2H])=O
Synonym	5H-Dibenz[b,f]azepine-5-carboxamide,5-Carbamoyl-5H-dibenz[b,f]azepine-d2,15N,Amizepin-d2,15N
Purity Grade Notes	HPLC
Recommended Storage	+4°C
IUPAC Name	1,10-dideuteriobenzo[b][1]benzazepine-11-(15N)carboxamide
Molecular Formula	C15H10D2N15NO

Decoquinate-d5, TRC

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Pricing and Availability
Specifications

Molecular Weight (g/mol)	422.57
InChI Formula	InChI=1S/C24H35NO5/c1-4-7-8-9-10-11-12-13-14-30-21-15-18-20(16-22(21)28-5-2)25-17-19(23(18)26)24(27)29-6-3/h15-17H,4-14H2,1-3H3,(H,25,26)/i2D3,5D2
Chemical Name or Material	Decoquinate-d5
SMILES	O=C(OC([2H])([2H])C([2H])([2H])[2H])C1=C(O)C2=C(C=C(OCC)C(OCCCCCCCCCC)=C2)N=C1
Synonym	6-(Decyloxy)-7-ethoxy-4-hydroxy3-quinolinecarboxylic Acid Ethyl-d5 Ester,Deccox-d5,Decoxy-d5,Ethyl-d5 4-Hydroxy-6-(decyloxy)-7-ethoxyquinoline-3- carboxylate,Ethyl-d5 6-decyloxy-7-ethoxy-4-hydroxyquinoline-3-carboxylate,NSC 339057-d5,Ethyl-d5 6-n-Decyloxy-7-ethoxy-4-hydroxyquinoline-3-carboxylate,HC 1528-d5
Recommended Storage	+4°C
IUPAC Name	ethyl 6-decoxy-4-oxo-7-(1,1,2,2,2-pentadeuterioethoxy)-1H-quinoline-3-carboxylate
Molecular Formula	C24H30D5NO5

Cilnidipine-d3, TRC

Molecular Formula: C27 D3 H25 N2 O7 Molecular Weight (g/mol): 495.539 Synonym: 1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic Acid 2-Methoxyethyl-d3 (2E)-3-Phenyl-2-propenyl Ester,FRC-8653-d3,Atelec-d3,Cinalong-d3,Siscard-d3 IUPAC Name: 5-O-[(E)-3-phenylprop-2-enyl] 3-O-[2-(trideuteriomethoxy)ethyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate SMILES: [2H]C([2H])([2H])OCCOC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OC\C=C\c3ccccc3)C

Pricing and Availability
Specifications

Molecular Weight (g/mol)	495.539
SMILES	[2H]C([2H])([2H])OCCOC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OC\C=C\c3ccccc3)C
Synonym	1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic Acid 2-Methoxyethyl-d3 (2E)-3-Phenyl-2-propenyl Ester,FRC-8653-d3,Atelec-d3,Cinalong-d3,Siscard-d3
IUPAC Name	5-O-[(E)-3-phenylprop-2-enyl] 3-O-[2-(trideuteriomethoxy)ethyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Molecular Formula	C27 D3 H25 N2 O7

Clofentezine-d8, TRC

CAS: 2732862-38-1 Molecular Formula: C14 D8 Cl2 N4 Molecular Weight (g/mol): 311.2 Synonym: 3,6-bis(2-chlorophenyl-3,4,5,6-D8)-1,2,4,5-Tetrazine IUPAC Name: 3,6-bis(2-chloro-3,4,5,6-tetradeuterio-phenyl)-1,2,4,5-tetrazine SMILES: [2H]c1c([2H])c([2H])c(c(Cl)c1[2H])c2nnc(nn2)c3c([2H])c([2H])c([2H])c([2H])c3Cl

Pricing and Availability
Specifications

CAS	2732862-38-1
Molecular Weight (g/mol)	311.2
SMILES	[2H]c1c([2H])c([2H])c(c(Cl)c1[2H])c2nnc(nn2)c3c([2H])c([2H])c([2H])c([2H])c3Cl
Synonym	3,6-bis(2-chlorophenyl-3,4,5,6-D8)-1,2,4,5-Tetrazine
IUPAC Name	3,6-bis(2-chloro-3,4,5,6-tetradeuterio-phenyl)-1,2,4,5-tetrazine
Molecular Formula	C14 D8 Cl2 N4

Clopyralid d2, TRC

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Pricing and Availability
Specifications

Molecular Weight (g/mol)	194.01
InChI Formula	InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)/i1D,2D
Chemical Name or Material	Clopyralid D2
SMILES	ClC1=C([2H])C([2H])=C(Cl)N=C1C(O)=O
Recommended Storage	-20°C
IUPAC Name	3,6-dichloropicolinic-4,5-d2 acid
Molecular Formula	C6HD2Cl2NO2
Formula Weight	192.97

Chloropretadalafil-13C2, TRC

Molecular Formula: 13C2 C20 H19 Cl N2 O5 Molecular Weight (g/mol): 428.835 Synonym: (1R,3R)-1-(1,3-Benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic-13C2 Acid Methyl Ester,(1R,3R)- 1-(1,3-Benzodioxol-5-yl)-2-(chloroacetyl)-2,3,4,9-tetrahydro-1H-Pyrido[3,4-b]indole-3-carboxylic-13C2 Acid Methyl Ester,(1R-cis)-1-(1,3-Benzodioxol-5-yl)-2-(chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic-13C2 Acid Methyl Ester,(1R,3R)-1-(1,3-Benzodioxol-5-yl)-2-(chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic-13C2 Acid Methyl Ester,Methyl (1R,3R)-1-(1,3-Benzodioxol-5-yl)-2-(chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate-13C2 IUPAC Name: methyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate SMILES: COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](N1[13C](=O)[13CH2]Cl)c4ccc5OCOc5c4

Pricing and Availability
Specifications

Molecular Weight (g/mol)	428.835
SMILES	COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](N1[13C](=O)[13CH2]Cl)c4ccc5OCOc5c4
Synonym	(1R,3R)-1-(1,3-Benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic-13C2 Acid Methyl Ester,(1R,3R)- 1-(1,3-Benzodioxol-5-yl)-2-(chloroacetyl)-2,3,4,9-tetrahydro-1H-Pyrido[3,4-b]indole-3-carboxylic-13C2 Acid Methyl Ester,(1R-cis)-1-(1,3-Benzodioxol-5-yl)-2-(chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic-13C2 Acid Methyl Ester,(1R,3R)-1-(1,3-Benzodioxol-5-yl)-2-(chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic-13C2 Acid Methyl Ester,Methyl (1R,3R)-1-(1,3-Benzodioxol-5-yl)-2-(chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate-13C2
IUPAC Name	methyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
Molecular Formula	13C2 C20 H19 Cl N2 O5

Dibenzepin-d3, TRC

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Pricing and Availability
Specifications

Molecular Weight (g/mol)	298.397
InChI Formula	InChI=1S/C18H21N3O/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22/h4-11H,12-13H2,1-3H3/i3D3
Chemical Name or Material	Dibenzepin-d3
SMILES	[2H]C([2H])([2H])N1c2ccccc2N(CCN(C)C)C(=O)c3ccccc13
Synonym	10-[2-(Dimethylamino)ethyl]-5,10-dihydro-5-(methyl-d3)-11H-dibenzo[b,e][1,4]diazepin-11-one,5-(Methyl-d3)-10beta-dimethylaminoethyl-10,11-dihydro-11-oxodibenzo[b,e][1,4]diazepine,Dibenzepine-d3,HF 1927-d3
Recommended Storage	+4°C
IUPAC Name	5-[2-(dimethylamino)ethyl]-11-(trideuteriomethyl)benzo[b][1,4]benzodiazepin-6-one
Molecular Formula	C18 D3 H18 N3 O
Formula Weight	298.187

(+)-Catechin-d4, TRC

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Pricing and Availability
Specifications

Molecular Weight (g/mol)	294.293
InChI Formula	InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1/i4D,5D,6D2
Chemical Name or Material	(+)-Catechin-d4
SMILES	[2H]c1c(O)c([2H])c2O[C@@H]([C@@H](O)C([2H])([2H])c2c1O)c3ccc(O)c(O)c3
Synonym	(2R,3S)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol-d4,(+)-(2R:3S)-5,7,3',4'-Tetrahydroxyflavan-3-ol-d4,D-Catechin-d4,(+)-Catechol-d4,(+)-Cianidanol-d4,(+)-Cyanidan-3-ol-d4,(+)-Cyanidanol-d4,(2R,3S)-(+)-Catechin-d4,(+)-3-Cyanidanol-d4,(+)-Biocatechin-d4,Catechin-d4,Catechinic Acid-d4,Catechuic Acid-d4,Catergen-d4,Cianidanol-d4,Cyanidanol-d4,Cyanidol-d4,D-(+)-Catechin-d4,Dexcyanidanol-d4,HB-MC-TS 35-d4,NSC 2819-d4,P 70A-d4,Teafuran 30A-d4,Teafuran 30E-d4,d-Catechin-d4,trans-(+)-3,3',4',5,7-Flavanpentol-d4
Recommended Storage	-20°C
IUPAC Name	(2R,3S)-4,4,6,8-tetradeuterio-2-(3,4-dihydroxyphenyl)-2,3-dihydrochromene-3,5,7-triol
Molecular Formula	C15 D4 H10 O6
Formula Weight	294.104

Crotamitone-d5, TRC

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Pricing and Availability
Specifications

Molecular Weight (g/mol)	208.31
InChI Formula	InChI=1S/C13H17NO/c1-4-8-13(15)14(5-2)12-10-7-6-9-11(12)3/h4,6-10H,5H2,1-3H3/b8-4+/i2D3,5D2
Chemical Name or Material	Crotamitone-d5
SMILES	O=C(/C=C/C)N(C([2H])(C([2H])([2H])[2H])[2H])C1=C(C)C=CC=C1
Synonym	N-Ethyl-N-(2-methylphenyl)-2-butenamide-d5,N-Ethyl-o-crotonotoluidide-d5,Crotalgin-d5,Crotamitex-d5,Crotonyl N-ethyl-o-toluidine-d5,Eurax-d5,Euraxil-d5,N-Crotonyl-N-ethyl-o-toluidine-d5,N-Ethyl-N-(2-methylphenyl)-2-butenamide-d5,N-Ethyl-o-crotonotoluidide-d5,Veteusan-d5
Recommended Storage	-20°C
IUPAC Name	N-(ethyl-d5)-N-(o-tolyl)but-2-enamide
Molecular Formula	C13H12D5NO
Formula Weight	208.16

Chlorophene-d7, TRC

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Pricing and Availability
Specifications

Molecular Weight (g/mol)	225.72
InChI Formula	InChI=1S/C13H11ClO/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2/i1D,2D,3D,4D,5D,8D2
Chemical Name or Material	Chlorophene-d7
SMILES	OC1=CC=C(Cl)C=C1C([2H])([2H])C2=C([2H])C([2H])=C([2H])C([2H])=C2[2H]
Synonym	4-Chloro-2-(phenylmethyl-d7)phenol,4-Chloro-α-phenyl-o-cresol-d7,2-Benzyl-4-
Recommended Storage	+4°C
IUPAC Name	4-chloro-2-((phenyl-d5)methyl-d2)phenol
Molecular Formula	C13H4D7ClO
Formula Weight	225.09

Econazole-d6, TRC

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Pricing and Availability
Specifications

Molecular Weight (g/mol)	387.72
InChI Formula	InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2/i1D,2D,3D,4D,11D2
Chemical Name or Material	Econazole-d6
SMILES	ClC1=C(C=CC(Cl)=C1)C(CN2C=NC=C2)OC(C3=C([2H])C([2H])=C(Cl)C([2H])=C3[2H])([2H])[2H]
Synonym	1-[2-[(4-Chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole-d6,1-[2-(4-Chlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole-d6,Econazole-d6,Ecostatin-d6
Recommended Storage	+4°C
IUPAC Name	1-(2-((4-chlorophenyl-2,3,5,6-d4)methoxy-d2)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole
Molecular Formula	C18 H9 D6 Cl3 N2 O
Formula Weight	386.06

Isotopically Labeled Compounds

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