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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 3,574 results
1

15-Acetyl Deoxynivalenol-13D2 (~90%), TRC

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

2

15-cis-Phytoene-d6 (major) >90%, TRC

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

Molecular Weight (g/mol) 550.97
InChI Formula InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11-,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+/i5D3,21D,25D2
Chemical Name or Material 15-cis-Phytoene-d6
SMILES [2H]C(/C=C\C=C(C)\CC/C=C(C)/CC/C=C(CC/C=C(C)\C)\C)=C(C([2H])([2H])[2H])\C([2H])([2H])C/C=C(C)/CC/C=C(C)/CC/C=C(C)/C
Synonym 15-cis-7,7',8,8',11,11',12,12'-Octahydro-ψ,ψ-carotene-d6,PhytoflORAL-d6,15-cis-7,7',8,8',11,11',12,12'-Octahydro-lycopene-d6
Recommended Storage -86°C
Molecular Formula C40H58D6
3

Methane-13C-sulfonate Sodium (contains up to 15% inorganics), TRC

Molecular Formula: 13C H3 Na O3 S Molecular Weight (g/mol): 119.08 IUPAC Name: (113C)methylsulfonyloxysodium SMILES: [13CH3]S(=O)(=O)O[Na]

Molecular Weight (g/mol) 119.08
SMILES [13CH3]S(=O)(=O)O[Na]
IUPAC Name (113C)methylsulfonyloxysodium
Molecular Formula 13C H3 Na O3 S
4

(3Beta,5Alpha)-4,4-Dimethylcholesta-8,14,24-trien-3-ol-d6 (Contain up to 15% Delta25 isomer), TRC

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

Molecular Weight (g/mol) 416.71
InChI Formula InChI=1S/C29H46O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h9,13,20,22,25-26,30H,8,10-12,14-18H2,1-7H3/t20-,22-,25+,26+,28-,29-/m1/s1/i4D3,5D3
Chemical Name or Material (3beta,5alpha)-4,4-Dimethylcholesta-8,14,24-trien-3-ol-d6
SMILES [H][C@]1([C@H](C)CC/C=C(C)\C)CC=C([C@]1(C)CC2)C3=C2[C@]4(C)[C@](CC3)([H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])[C@@H](O)CC4
Synonym 4,4-Dimethyl-5α-cholesta-8,14,24-trien-3β-ol-d6,FF-MAS-d6,Follicular Fluid Meiosis-activating Sterol-d6
Recommended Storage -20°C
Molecular Formula C29H40D6O
5

Pentadecanoic-15,15,15-d3 Acid, CDN

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Percent Purity 99 atom % D, min 98% Chemical Purity
CAS 352431-40-4
Molecular Weight (g/mol) 245.416
InChI Formula InChI=1 S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)/i1D3
Chemical Name or Material Pentadecanoic-15,15,15-D3 Acid
SMILES [2 H]C([2 H])([2 H])CCCCCCCCCCCCCC(=O)O
Synonym Pentadecanoic-15,15,15-d3 acid (9 CI),Pentadecanoic acid-15,15,15-d3,15,15,15-Trideuteriopentadecanoic acid
Recommended Storage Room Temperature
IUPAC Name 15,15,15-trideuteriopentadecanoic acid
Molecular Formula C15 D3 H27 O2
Formula Weight 245.2434 g/mol
6

Deuterium oxide, for NMR, 99.8 atom % D

CAS: 7789-20-0 Molecular Formula: H2O Molecular Weight (g/mol): 20.03 MDL Number: MFCD00044636 InChI Key: XLYOFNOQVPJJNP-ZSJDYOACSA-N Synonym: deuterium oxide,water-d2,heavy water,deuterated water,dideuterium oxide,heavy water-d2,heavy water d2o,water sup 2-h2,deuterium oxide usan,water, heavy d2-o PubChem CID: 24602 ChEBI: CHEBI:41981 IUPAC Name: [(²H)oxy](²H) SMILES: [2H]O[2H]

PubChem CID 24602
CAS 7789-20-0
Molecular Weight (g/mol) 20.03
ChEBI CHEBI:41981
MDL Number MFCD00044636
SMILES [2H]O[2H]
Synonym deuterium oxide,water-d2,heavy water,deuterated water,dideuterium oxide,heavy water-d2,heavy water d2o,water sup 2-h2,deuterium oxide usan,water, heavy d2-o
IUPAC Name [(²H)oxy](²H)
InChI Key XLYOFNOQVPJJNP-ZSJDYOACSA-N
Molecular Formula H2O
8

1-Bromopentadecane-15,15,15-d3, CDN

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Percent Purity 99 atom % D, min 98% Chemical Purity
CAS 1219805-83-0
Molecular Weight (g/mol) 294.3291
InChI Formula InChI=1 S/C15H31Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-15H2,1H3/i1D3
Chemical Name or Material 1-Bromopentadecane-15,15,15-D3
SMILES [2 H]C([2 H])([2 H])CCCCCCCCCCCCCCBr
Synonym 15-Bromopentadecane-1,1,1-d3,1-Bromopentadecane-15,15,15-d3,1-Bromopentadecane-15,15,15-D3
Recommended Storage Room Temperature
IUPAC Name 15-bromo-1,1,1-trideuteriopentadecane
Molecular Formula C15 D3 H28 Br
Formula Weight 293.1797 g/mol
9

Hexadecanoic-15,15,16,16,16-d5 Acid, CDN

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Percent Purity 99 atom % D, min 98% Chemical Purity
CAS 285979-77-3
Molecular Weight (g/mol) 261.4549
InChI Formula InChI=1 S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i1D3,2D2
Chemical Name or Material Hexadecanoic-15,15,16,16,16-D5 Acid
SMILES [2 H]C([2 H])([2 H])C([2 H])([2 H])CCCCCCCCCCCCCC(=O)O
Synonym Hexadecanoic-15,15,16,16,16-d5 acid (9 CI),Hexadecanoic-15,15,16,16,16-D5 Acid,Palmitic acid-15,15,16,16,16-d5,[15,15,16,16,16-2H5]Hexadecanoic acid,[15,15,16,16,16-2H5]Palmitic acid,Hexadecanoic Acid-15,15,16,16,16-d5
Recommended Storage Room Temperature
IUPAC Name 15,15,16,16,16-pentadeuteriohexadecanoic acid
Molecular Formula C16 D5 H27 O2
Formula Weight 261.2716 g/mol
10

Cefotiam Dihydrochloride-13C, 15N2, TRC

Molecular Formula: C1713CH23N715N2O4S3 • 2x( HCl) Molecular Weight (g/mol): 601.5295 Synonym: Cefotiam-13C, 15N2 Hydrochloride,Ceradon-13C, 15N2,HAR-13C, 15N2,HNP-13C, 15N2,Halospor-13C, 15N2,KMS-13C, 15N2,PAS-13C, 15N2,Pansporin-13C, 15N2,Pansporine-13C, 15N2,SEP-13C, 15N2,SFC-13C, 15N2,SFP-13C, 15N2,Spizef-13C, 15N2,Sporidyn-13C, 15N2 IUPAC Name: (6R,7R)-7-(2-(2-(amino-15N)thiazol-4-yl-2-13C-3-15N)acetamido)-3-(((1-(2-(dimethylamino)ethyl)-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid di hydrogen chloride SMILES: O=C1N([C@@]2([H])[C@@H]1NC(CC3=CS[13C]([15NH2])=[15N]3)=O)C(C(O)=O)=C(CS2)CSC4=NN=NN4CCN(C)C.Cl.Cl

Molecular Weight (g/mol) 601.5295
SMILES O=C1N([C@@]2([H])[C@@H]1NC(CC3=CS[13C]([15NH2])=[15N]3)=O)C(C(O)=O)=C(CS2)CSC4=NN=NN4CCN(C)C.Cl.Cl
Synonym Cefotiam-13C, 15N2 Hydrochloride,Ceradon-13C, 15N2,HAR-13C, 15N2,HNP-13C, 15N2,Halospor-13C, 15N2,KMS-13C, 15N2,PAS-13C, 15N2,Pansporin-13C, 15N2,Pansporine-13C, 15N2,SEP-13C, 15N2,SFC-13C, 15N2,SFP-13C, 15N2,Spizef-13C, 15N2,Sporidyn-13C, 15N2
IUPAC Name (6R,7R)-7-(2-(2-(amino-15N)thiazol-4-yl-2-13C-3-15N)acetamido)-3-(((1-(2-(dimethylamino)ethyl)-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid di hydrogen chloride
Molecular Formula C1713CH23N715N2O4S3 • 2x( HCl)
11

Hexadecanoic-13,13,14,14,15,15,16,16,16-d9 Acid, CDN

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Percent Purity 98 atom % D, min 98% Chemical Purity
CAS 1173022-49-5
Molecular Weight (g/mol) 265.4795
InChI Formula InChI=1 S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i1D3,2D2,3D2,4D2
Chemical Name or Material Hexadecanoic-13,13,14,14,15,15,16,16,16-D9 Acid
SMILES [2 H]C([2 H])([2 H])C([2 H])([2 H])C([2 H])([2 H])C([2 H])([2 H])CCCCCCCCCCCC(=O)O
Synonym Hexadecanoic-13,13,14,14,15,15,16,16,16-d9 acid (ACI),Hexadecanoic-13,13,14,14,15,15,16,16,16-D9 Acid,Palmitic acid-13,13,14,14,15,15,16,16,16-d9,[13,13,14,14,15,15,16,16,16-2H9]Hexadecanoic acid,[13,13,14,14,15,15,16,16,16-2H9]Palmitic acid,Hexadecanoic Acid-13,13,14,14,15,15,16,16,16-d9
Recommended Storage Room Temperature
IUPAC Name 13,13,14,14,15,15,16,16,16-nonadeuteriohexadecanoic acid
Molecular Formula C16 D9 H23 O2
Formula Weight 265.2967 g/mol
13

n-Hexadecyl-15,15,16,16,16-d5 Alcohol, CDN

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Percent Purity 98 atom % D, min 98% Chemical Purity
CAS 1219799-21-9
Molecular Weight (g/mol) 247.471
InChI Formula InChI=1 S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3/i1D3,2D2
Chemical Name or Material 1-Hexadecanol-15,15,16,16,16-D5
SMILES [2 H]C([2 H])([2 H])C([2 H])([2 H])CCCCCCCCCCCCCCO
Synonym 1-Hexadecan-15,15,16,16,16-d5-ol,[15,15,16,16,16-2H5]Hexadecanol,n-Hexadecanol-15,15,16,16,16-d5,n-Hexadecyl-15,15,16,16,16-d5 alcohol,Cetyl alcohol-ψ,ω-d5,Cetyl-15,15,16,16,16-d5 alcohol,1-Hexadecanol-15,15,16,16,16-D5
Recommended Storage Room Temperature
IUPAC Name 15,15,16,16,16-pentadeuteriohexadecan-1-ol
Molecular Formula C16 D5 H29 O
Formula Weight 247.292 g/mol
15

Glyceryl Tri(hexadecanoate-13,13,14,14,15,15,16,16,16-d9), CDN

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Percent Purity 99 atom % D, min 98% Chemical Purity
CAS 1219804-91-7
Molecular Weight (g/mol) 834.4866
InChI Formula InChI=1 S/C51H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3/i1D3,2D3,3D3,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2
Chemical Name or Material Tripalmitin-D27 (tri(hexadecanoyl-13,13,14,14,15,15,16,16,16-D9))
SMILES [2 H]C([2 H])([2 H])C([2 H])([2 H])C([2 H])([2 H])C([2 H])([2 H])CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC([2 H])([2 H])C([2 H])([2 H])C([2 H])([2 H])C([2 H])([2 H])[2 H])OC(=O)CCCCCCCCCCCC([2 H])([2 H])C([2 H])([2 H])C([2 H])([2 H])C([2 H])([2 H])[2 H]
Synonym Hexadecanoic-13,13,14,14,15,15,16,16,16-d9 acid 1,2,3-propanetriyl ester,Glyceryl Tri(hexadecanoate-13,13,14,14,15,15,16,16,16-d9),Glycerol trihexadecanoate-d27,Glyceryl tripalmitate-d27,Trihexadecanoin-d27,Tripalmitin-d27,Tripalmitin-D27 (tri(hexadecanoyl-13,13,14,14,15,15,16,16,16-D9))
Recommended Storage Room Temperature
IUPAC Name 2,3-bis(13,13,14,14,15,15,16,16,16-nonadeuteriohexadecanoyloxy)propyl 13,13,14,14,15,15,16,16,16-nonadeuteriohexadecanoate
Molecular Formula C51 D27 H71 O6
Formula Weight 833.9058 g/mol