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 1,798 results

5-Amino Salicylic Acid Methyl Ester-13C6, TRC

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Specifications

Molecular Weight (g/mol)	173.118
InChI Formula	InChI=1S/C8H9NO3/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4,10H,9H2,1H3/i2+1,3+1,4+1,5+1,6+1,7+1
Chemical Name or Material	5-Amino Salicylic Acid Methyl Ester-13C6
SMILES	COC(=O)[13c]1[13cH][13c](N)[13cH][13cH][13c]1O
Recommended Storage	+4°C
IUPAC Name	methyl 5-amino-2-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylate
Molecular Formula	13C6 C2 H9 N O3
Formula Weight	173.078

(S)-Alpha-[(3-Methoxy-1-methyl-3-oxo-1-propenyl)amino]-benzeneacetic Acid-d5 Monosodium Salt, TRC

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Specifications

Molecular Weight (g/mol)	276.28
Chemical Name or Material	(S)-alpha-[(3-Methoxy-1-methyl-3-oxo-1-propenyl)amino]-benzeneacetic Acid-d5 Monosodium Salt
SMILES	[2H]C1=C([C@@H](C(O[Na])=O)N/C(C)=C/C(OC)=O)C([2H])=C([2H])C([2H])=C1[2H]
Molecular Formula	C13H9D5NNaO4
Formula Weight	276.11

2-Amino-4-thiazoleacetic Acid-13C,15N2, TRC

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Specifications

Molecular Weight (g/mol)	161.158
InChI Formula	InChI=1S/C5H6N2O2S/c6-5-7-3(2-10-5)1-4(8)9/h2H,1H2,(H2,6,7)(H,8,9)/i5+1,6+1,7+1
Chemical Name or Material	2-Amino-4-thiazoleacetic Acid-13C,15N2
SMILES	[15NH2][13c]1[15n]c(CC(=O)O)cs1
Synonym	(2-Amino-1,3-thiazol-4-yl)acetic Acid-13C,15N2,(2-Amino-4-thiazoyl)acetic Acid-13C,15N2,2-(2-Amino-4-thiazolyl)acetic Acid-13C,15N2,2-Amino-4-thiazolylacetic Acid-13C,15N2,2-Aminothiazole-4-acetic Acid-13C,15N2,SQ 272-13C,15N2
IUPAC Name	2-(2-(15N)azanyl-(213C,315N)1,3-thiazol-4-yl)acetic acid
Molecular Formula	13C C4 H6 15N2 O2 S
Formula Weight	161.012

4-Amino-2-methyl-d3-5-pyrimidinecarboxylic Acid, CDN

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Pricing and Availability
Specifications

Percent Purity	99 atom % D, min 98% Chemical Purity
Molecular Weight (g/mol)	156.1572
InChI Formula	InChI=1 S/C6H7N3O2/c1-3-8-2-4(6(10)11)5(7)9-3/h2H,1H3,(H,10,11)(H2,7,8,9)/i1D3
Chemical Name or Material	4-Amino-2-methyl-5-pyrimidinecarboxylic Acid-D3 (methyl-D3)
SMILES	[2 H]C([2 H])([2 H])c1ncc(C(=O)O)c(N)n1
Synonym	4-Amino-2-methyl-d3-5-pyrimidinecarboxylic acid,4-Amino-2-(methyl-d3)-5-pyrimidinecarboxylic acid,4-Amino-2-methyl-5-pyrimidinecarboxylic Acid-D3 (methyl-D3),2-(Methyl-d3)-4-amino-5-pyrimidinecarboxylic acid
Recommended Storage	Room Temperature
IUPAC Name	4-amino-2-(trideuteriomethyl)pyrimidine-5-carboxylic acid
Molecular Formula	C6 D3 H4 N3 O2
Formula Weight	156.0727 g/mol

2-Amino-iso-butyric-d6 Acid (dimethyl-d6), CDN

Pricing and Availability
Specifications

Percent Purity	99 atom % D, min 98% Chemical Purity
CAS	50348-93-1
Molecular Weight (g/mol)	145.62
InChI Formula	InChI=1 S/C4H9NO2.ClH/c1-4(2,5)3(6)7;/h5H2,1-2H3,(H,6,7);1 H/i1D3,2D3;
Chemical Name or Material	2-Methylalanine dimethyl-d6
SMILES	Cl.[2 H]C([2 H])([2 H])C(N)(C(=O)O)C([2 H])([2 H])[2 H]
Recommended Storage	Room Temperature
IUPAC Name	2-amino-3,3,3-trideuterio-2-(trideuteriomethyl)propanoic acid;hydrochloride
Molecular Formula	C4 2H6 H3 N O2 . Cl H
Formula Weight	145.0777 g/mol

(±)-3-Amino-iso-butyric-2,3,3-d3 Acid, TRC

CAS: 1219803-65-2 Molecular Formula: C4 D3 H6 N O2 Molecular Weight (g/mol): 106.14 Synonym: 3-Amino-2-methylpropanoic-2,3,3-d3 acid,3-Amino-2-methylpropanoic acid-d3,3-Amino-2-methylpropanoic acid 2,3,3-D3,3-Amino-2-methylpropionic acid-d3,β-Aminoisobutyric acid-d3,2-Methyl-β-alanine-2,3,3-d3 IUPAC Name: 3-amino-2,3,3-trideuterio-2-methylpropanoic acid SMILES: [2H]C([2H])(N)C([2H])(C)C(=O)O

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Specifications

CAS	1219803-65-2
Molecular Weight (g/mol)	106.14
SMILES	[2H]C([2H])(N)C([2H])(C)C(=O)O
Synonym	3-Amino-2-methylpropanoic-2,3,3-d3 acid,3-Amino-2-methylpropanoic acid-d3,3-Amino-2-methylpropanoic acid 2,3,3-D3,3-Amino-2-methylpropionic acid-d3,β-Aminoisobutyric acid-d3,2-Methyl-β-alanine-2,3,3-d3
IUPAC Name	3-amino-2,3,3-trideuterio-2-methylpropanoic acid
Molecular Formula	C4 D3 H6 N O2

(±)-3-Amino-iso-butyric-2,3,3-d3 Acid, CDN

Pricing and Availability
Specifications

Percent Purity	98 atom % D, min 98% Chemical Purity
CAS	1219803-65-2
Molecular Weight (g/mol)	106.14
InChI Formula	InChI=1 S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/i2D2,3 D
Chemical Name or Material	(±)-3-Amino-iso-butyric-2,3,3-d3 Acid
SMILES	[2 H]C([2 H])(N)C([2 H])(C)C(=O)O
Synonym	3-Amino-2-methylpropanoic-2,3,3-d3 acid,3-Amino-2-methylpropanoic acid-d3,3-Amino-2-methylpropanoic acid 2,3,3-D3,3-Amino-2-methylpropionic acid-d3,β-Aminoisobutyric acid-d3,2-Methyl-β-alanine-2,3,3-d3
Recommended Storage	Room Temperature
IUPAC Name	3-amino-2,3,3-trideuterio-2-methylpropanoic acid
Molecular Formula	C4 D3 H6 N O2
Formula Weight	106.0822 g/mol

DL-2-Amino-1,6-hexanedioic-2,5,5-d3 Acid, CDN

Pricing and Availability
Specifications

Percent Purity	98 atom % D, min 98% Chemical Purity
CAS	2483832-01-3
Molecular Weight (g/mol)	164.1743
InChI Formula	InChI=1 S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/i3D2,4 D
Chemical Name or Material	DL-2-Amino-1,6-hexanedioic-2,5,5-d3 Acid
SMILES	[2 H]C([2 H])(CCC([2 H])(N)C(=O)O)C(=O)O
Synonym	DL-2-Amino-1,6-hexanedioic-2,5,5-d3 Acid,2-Aminohexanedioic-2,5,5-d3 acid,2-Aminoadipic acid-2,5,5-d3,(±)-α-Aminoadipic acid-d3,DL-2-Aminoadipic-2,5,5-d3 acid,2-Aminohexanedioic acid-2,5,5-d3,2-Aminohexanedioic Acid-2,5,5-D3
Recommended Storage	+4°C
IUPAC Name	2-amino-2,5,5-trideuteriohexanedioic acid
Molecular Formula	C6 D3 H8 N O4
Formula Weight	164.0876 g/mol

4-(Methyl-d3-amino)butyric-2,2,3,3,4,4-d6 Acid HCl, CDN

Pricing and Availability
Specifications

Percent Purity	99 atom % D, min 98% Chemical Purity
CAS	1219805-36-3
Molecular Weight (g/mol)	162.6627
InChI Formula	InChI=1 S/C5H11NO2.ClH/c1-6-4-2-3-5(7)8;/h6H,2-4H2,1H3,(H,7,8);1 H/i1D3,2D2,3D2,4D2;
Chemical Name or Material	4-(Methylamino)butanoic Acid-D8 Hydrochloride
SMILES	Cl.[2 H]C([2 H])([2 H])NC([2 H])([2 H])C([2 H])([2 H])C([2 H])([2 H])C(=O)O
Synonym	4-(Methylamino)butanoic acid-D8 hydrochloride,4-(Methylamino)butyric-d8 acid hydrochloride,4-(Methyl-d3-amino)butyric-2,2,3,3,4,4-d6 Acid HCl
Recommended Storage	Room Temperature
IUPAC Name	2,2,3,3,4,4-hexadeuterio-4-(trideuteriomethylamino)butanoic acid;hydrochloride
Molecular Formula	C5 D9 H2 N O2 . Cl H
Formula Weight	162.1121 g/mol

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

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Specifications

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

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

Pricing and Availability
Specifications

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

N-[[4-[[(4-Amino[1,1'-biphenyl]-3-yl)amino]carbonyl]phenyl]methyl]carbamic Acid Methyl Ester-d3, TRC

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Specifications

Molecular Weight (g/mol)	378.439
InChI Formula	InChI=1S/C22H21N3O3/c1-28-22(27)24-14-15-7-9-17(10-8-15)21(26)25-20-13-18(11-12-19(20)23)16-5-3-2-4-6-16/h2-13H,14,23H2,1H3,(H,24,27)(H,25,26)/i1D3
Chemical Name or Material	N-[(4-[((4-Amino[1,1'-biphenyl]-3-yl)amino)carbonyl]phenyl)methyl]carbamic Acid Methyl Ester-d3
SMILES	[2H]C([2H])([2H])OC(=O)NCc1ccc(cc1)C(=O)Nc2cc(ccc2N)c3ccccc3
Recommended Storage	+4°C
IUPAC Name	trideuteriomethyl N-[[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl]carbamate
Molecular Formula	C22 H18 D3 N3 O3
Formula Weight	378.177

(4-(((2-Amino-4-oxo-3,4-dihydropteridin-6-yl)methyl)(nitroso)amino)benzoyl-2,3,5,6-d4)glutamic Acid, TRC

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Specifications

Percent Purity	>95
Molecular Weight (g/mol)	474.42
InChI Formula	InChI=1S/C19H18N8O7/c20-19-24-15-14(17(31)25-19)22-10(7-21-15)8-27(26-34)11-3-1-9(2-4-11)16(30)23-12(18(32)33)5-6-13(28)29/h1-4,7,12H,5-6,8H2,(H,23,30)(H,28,29)(H,32,33)(H3,20,21,24,25,31)/t12-/m0/s1/i1D,2D,3D,4D
Chemical Name or Material	(4-(((2-Amino-4-oxo-3,4-dihydropteridin-6-yl)methyl)(nitroso)amino)benzoyl-2,3,5,6-d4)glutamic Acid
SMILES	[2H]c1c([2H])c(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c([2H])c([2H])c1N(Cc2cnc3N=C(N)NC(=O)c3n2)N=O
Synonym	Nitrosofolic Acid-D4
Purity Grade Notes	HPLC
Recommended Storage	-20°C
IUPAC Name	(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-nitrosoamino]-2,3,5,6-tetradeuteriobenzoyl]amino]pentanedioic acid
Molecular Formula	C19 D4 H14 N8 O7
Formula Weight	474.155

(4-((3-Acetamidopropyl)(tert-butoxycarbonyl)amino)butyl)(3-((tert-butoxycarbonyl)amino)propyl)carbamic Acid-d3 tert-Butyl Ester, TRC

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Specifications

Molecular Weight (g/mol)	547.74
Chemical Name or Material	(4-((3-Acetamidopropyl)(tert-butoxycarbonyl)amino)butyl)(3-((tert-butoxycarbonyl)amino)propyl)carbamic Acid-d3 tert-Butyl Ester
Synonym	Spermine Derivative
Molecular Formula	C27H49D3N4O7

[4-[(5,6-Diphenyl-2-pyrazinyl)(isopropyl-d7)amino]butoxy]acetic Acid, CDN

Pricing and Availability
Specifications

Percent Purity	99 atom % D, min 98% Chemical Purity
CAS	1265295-20-2
Molecular Weight (g/mol)	426.5592
InChI Formula	InChI=1 S/C25H29N3O3/c1-19(2)28(15-9-10-16-31-18-23(29)30)22-17-26-24(20-11-5-3-6-12-20)25(27-22)21-13-7-4-8-14-21/h3-8,11-14,17,19 H,9-10,15-16,18H2,1-2H3,(H,29,30)/i1D3,2D3,19 D
Chemical Name or Material	Des(methylsulfonamido)selexipag-D7 (N-isopropyl-D7)
SMILES	[2 H]C([2 H])([2 H])C([2 H])(N(CCCCOCC(=O)O)c1cnc(c2ccccc2)c(n1)c3ccccc3)C([2 H])([2 H])[2 H]
Synonym	Acetic acid, 2-[4-[(5,6-diphenyl-2-pyrazinyl)[1-(methyl-d3)ethyl-1,2,2,2-d4]amino]butoxy]- (ACI),2-[4-[(5,6-Diphenyl-2-pyrazinyl)[1-(methyl-d3)ethyl-1,2,2,2-d4]amino]butoxy]acetic acid (ACI),MRE-269-d7,Des(methylsulfonamido)selexipag-d7,Des(methylsulfonamido)selexipag-D7 (N-isopropyl-D7),Selexipag-d7-desmethylsulfonamido,[4-[(5,6-Diphenyl-2-pyrazinyl)(isopropyl-d7)amino]butoxy]acetic Acid
Recommended Storage	Room Temperature
IUPAC Name	2-[4-[(5,6-diphenylpyrazin-2-yl)-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)amino]butoxy]acetic acid
Molecular Formula	C25 D7 H22 N3 O3
Formula Weight	426.2648 g/mol

Isotopically Labeled Compounds

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