Isotopisk mærkede forbindelser

Kemikalier, hvortil der er knyttet isotoper for at mærke specifikke atomer. Isotopmærkede forbindelser er almindeligt anvendt i syntetisk kemi, karakteriseringsteknikker såsom NMR og biologi.

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Ethyl-d5 Carbamate, CDN

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Pris og tilgængelighed
Tekniske data

Kemisk navn eller materiale	Urethane-d5
Anbefalet opbevaring	Room Temperature
Molekylvægt (g/mol)	94.12
InChI formel	InChI=1 S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)/i1D3,2D2
CAS	73962-07-9
Formel vægt	94.0791 g/mol
Procent renhed	99 atom % D, min 98% Chemical Purity
SMIL	[2 H]C([2 H])([2 H])C([2 H])([2 H])OC(=O)N
IUPAC navn	1,1,2,2,2-pentadeuterioethyl carbamate
Molekylær formel	C3 2H5 H2 N O2

tert-Butyl (Ethyl-d5)(isopropyl)carbamate, TRC

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Pris og tilgængelighed
Tekniske data

Kemisk navn eller materiale	tert-Butyl (Ethyl-d5)(isopropyl)carbamate
Molekylvægt (g/mol)	192.31
InChI formel	InChI=1S/C10H21NO2/c1-7-11(8(2)3)9(12)13-10(4,5)6/h8H,7H2,1-6H3/i1D3,7D2
Formel vægt	192.189
SMIL	[2H]C([2H])([2H])C([2H])([2H])N(C(C)C)C(=O)OC(C)(C)C
IUPAC navn	tert-butyl N-(1,1,2,2,2-pentadeuterioethyl)-N-propan-2-ylcarbamate
Molekylær formel	C10 D5 H16 N O2

Kemisk navn eller materiale	(1-Methylethyl)carbamic Acid-d7 Phenyl Ester
Anbefalet opbevaring	Room Temperature
Molekylvægt (g/mol)	186.259
InChI formel	InChI=1 S/C10H13NO2/c1-8(2)11-10(12)13-9-6-4-3-5-7-9/h3-8 H,1-2H3,(H,11,12)/i1D3,2D3,8 D
CAS	1329835-22-4
Formel vægt	186.139 g/mol
Synonym	Phenyl N-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)carbamate,Isopropyl-d7-carbamic acid phenyl ester,Phenyl N-[1-(methyl-d3)ethyl-1,2,2,2-d4]carbamate,Phenyl N-(isopropyl-d7)carbamate,[1-(Methyl-d3)ethyl-1,2,2,2-d4]carbamic acid phenyl ester,Phenyl isopropylcarbamate-D7 (isopropyl-D7)
Procent renhed	99 atom % D, min 98% Chemical Purity
SMIL	[2 H]C([2 H])([2 H])C([2 H])(NC(=O)Oc1ccccc1)C([2 H])([2 H])[2 H]
IUPAC navn	phenyl N-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)carbamate
Molekylær formel	C10 D7 H6 N O2

Ethyl N-n-Butyl-d9-carbamate, CDN

Pris og tilgængelighed
Tekniske data

Kemisk navn eller materiale	Ethyl N-Butylcarbamate-D9 (butyl-D9)
Anbefalet opbevaring	Room Temperature
Molekylvægt (g/mol)	154.255
InChI formel	InChI=1 S/C7H15NO2/c1-3-5-6-8-7(9)10-4-2/h3-6H2,1-2H3,(H,8,9)/i1D3,3D2,5D2,6D2
CAS	1276197-24-0
Formel vægt	154.1668 g/mol
Synonym	Ethyl N-n-Butyl-d9-carbamate,Ethyl butyl-d9-carbamate,Ethyl N-butylcarbamate-D9 (butyl-D9),N-(Butyl-d9)-O-ethylurethane,N-(Butyl-d9)urethane,N-Butylcarbamic-d9 acid ethyl ester
Procent renhed	99 atom % D, min 98% Chemical Purity
SMIL	[2 H]C([2 H])([2 H])C([2 H])([2 H])C([2 H])([2 H])C([2 H])([2 H])NC(=O)OCC
IUPAC navn	ethyl N-(1,1,2,2,3,3,4,4,4-nonadeuteriobutyl)carbamate
Molekylær formel	C7 D9 H6 N O2

Propane-1,3-diylbis((3-acetamidopropyl)carbamic Acid) di-tert-Butyl Ester-d6, TRC

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Pris og tilgængelighed
Tekniske data

Kemisk navn eller materiale	Propane-1,3-diylbis((3-acetamidopropyl)carbamic Acid) di-tert-Butyl Ester-d6
Molekylvægt (g/mol)	478.656
InChI formel	InChI=1S/C23H44N4O6/c1-18(28)24-12-9-14-26(20(30)32-22(3,4)5)16-11-17-27(15-10-13-25-19(2)29)21(31)33-23(6,7)8/h9-17H2,1-8H3,(H,24,28)(H,25,29)/i1D3,2D3
Formel vægt	478.364
SMIL	[2H]C([2H])([2H])C(=O)NCCCN(CCCN(CCCNC(=O)C([2H])([2H])[2H])C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Molekylær formel	C23 D6 H38 N4 O6

N-[(1S)-1-(Hydroxymethyl)-3-phenylpropyl]carbamic Acid-d2 Phenyl Methyl Ester, TRC

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Pris og tilgængelighed
Tekniske data

Kemisk navn eller materiale	N-[(1S)-1-(Hydroxymethyl)-3-phenylpropyl]carbamic Acid-d2 Phenyl Methyl Ester
Anbefalet opbevaring	+4°C
Molekylvægt (g/mol)	301.377
InChI formel	InChI=1S/C18H21NO3/c20-13-17(12-11-15-7-3-1-4-8-15)19-18(21)22-14-16-9-5-2-6-10-16/h1-10,17,20H,11-14H2,(H,19,21)/t17-/m0/s1/i13D2
Formel vægt	301.165
Synonym	[(1S)-1-(Hydroxymethyl)-3-phenylpropyl]carbamic Acid-d2 Phenylmethyl Ester,Benzyl ((S)-1-Hydroxymethyl-3-phenylpropyl)carbamate-d2
SMIL	[2H]C([2H])(O)[C@H](CCc1ccccc1)NC(=O)OCc2ccccc2
IUPAC navn	benzyl N-[(2S)-1,1-dideuterio-1-hydroxy-4-phenylbutan-2-yl]carbamate
Molekylær formel	C18 D2 H19 N O3

[2-[(2,6-Dimethylphenyl)amino]-2-oxoethyl]carbamic Acid-d6 1,1-Dimethylethyl Ester, TRC

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Pris og tilgængelighed
Tekniske data

Kemisk navn eller materiale	[2-[(2,6-Dimethylphenyl)amino]-2-oxoethyl]carbamic Acid-d6 1,1-Dimethylethyl Ester
Molekylvægt (g/mol)	272.34
InChI formel	InChI=1S/C20H16O/c21-19-13-11-18(12-14-19)20(17-9-5-2-6-10-17)15-16-7-3-1-4-8-16/h1-15,21H/b20-15-
Formel vægt	272.12
SMIL	Oc1ccc(cc1)\C(=C/c2ccccc2)\c3ccccc3
IUPAC navn	4-[(Z)-1,2-diphenylethenyl]phenol
Molekylær formel	C20 H16 O

(2,3,3a,4,7,7a-Hexahydro-2-methyl-1,3-dioxo-1H-isoindol-4-yl)carbamic Acid Phenylmethyl Ester-13C4, TRC

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Pris og tilgængelighed
Tekniske data

Kemisk navn eller materiale	(2,3,3a,4,7,7a-Hexahydro-2-methyl-1,3-dioxo-1H-isoindol-4-yl)carbamic Acid Phenylmethyl Ester-13C4
Molekylvægt (g/mol)	318.31
InChI formel	InChI=1S/C17H18N2O4/c1-19-15(20)12-8-5-9-13(14(12)16(19)21)18-17(22)23-10-11-6-3-2-4-7-11/h2-7,9,12-14H,8,10H2,1H3,(H,18,22)/i5+1,8+1,9+1,13+1
Formel vægt	318.14
SMIL	O=C1N(C)C(C2[13CH2][13CH]=[13CH][13CH](NC(OCC3=CC=CC=C3)=O)C21)=O
IUPAC navn	benzyl (2-methyl-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl-4,5,6,7-13C4)carbamate
Molekylær formel	C1313C4H18N2O4

Ethyl (2-Cyano-2-(2-(3,5-dichloro-4-((4-chlorophenyl)(cyano)methyl)phenyl)hydrazono)acetyl)carbamate-13C3,15N2, TRC

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Pris og tilgængelighed
Tekniske data

Kemisk navn eller materiale	Ethyl (2-Cyano-2-(2-(3,5-dichloro-4-((4-chlorophenyl)(cyano)methyl)phenyl)hydrazono)acetyl)carbamate-13C3,15N2
Anbefalet opbevaring	-20°C
Molekylvægt (g/mol)	483.68
InChI formel	InChI=1S/C20H14Cl3N5O3/c1-2-31-20(30)26-19(29)17(10-25)28-27-13-7-15(22)18(16(23)8-13)14(9-24)11-3-5-12(21)6-4-11/h3-8,14,27H,2H2,1H3,(H,26,29,30)/b28-17+/i17+1,19+1,20+1,26+1,28+1
Formel vægt	482.02
SMIL	N#CC(C1=C(Cl)C=C(N/[15N]=[13C]([13C]([15NH][13C](OCC)=O)=O)\C#N)C=C1Cl)C2=CC=C(Cl)C=C2
IUPAC navn	ethyl (E)-(2-cyano-2-(2-(3,5-dichloro-4-((4-chlorophenyl)(cyano)methyl)phenyl)hydrazineylidene-1-15N)acetyl-13C2)carbamate-13C-15N
Molekylær formel	C17 13C3 H14 Cl3 N3 15N2 O3

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

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Pris og tilgængelighed
Tekniske data

Kemisk navn eller materiale	N-[(4-[((4-Amino[1,1'-biphenyl]-3-yl)amino)carbonyl]phenyl)methyl]carbamic Acid Methyl Ester-d3
Anbefalet opbevaring	+4°C
Molekylvægt (g/mol)	378.439
InChI formel	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
Formel vægt	378.177
SMIL	[2H]C([2H])([2H])OC(=O)NCc1ccc(cc1)C(=O)Nc2cc(ccc2N)c3ccccc3
IUPAC navn	trideuteriomethyl N-[[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl]carbamate
Molekylær formel	C22 H18 D3 N3 O3

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

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Pris og tilgængelighed
Tekniske data

Kemisk navn eller materiale	(4-((3-Acetamidopropyl)(tert-butoxycarbonyl)amino)butyl)(3-((tert-butoxycarbonyl)amino)propyl)carbamic Acid-d3 tert-Butyl Ester
Molekylvægt (g/mol)	547.74
Synonym	Spermine Derivative
Molekylær formel	C27H49D3N4O7

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

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Pris og tilgængelighed
Tekniske data

Kemisk navn eller materiale	N-((4-(((4-((tert-Butyloxycarbonyl)amino)(1,1'-biphenyl)-3-yl)amino)carbonyl)phenyl)methyl)carbamic Acid Methyl Ester-d3
Anbefalet opbevaring	+4°C
Molekylvægt (g/mol)	478.55
InChI formel	InChI=1S/C27H29N3O5/c1-27(2,3)35-26(33)30-22-15-14-21(19-8-6-5-7-9-19)16-23(22)29-24(31)20-12-10-18(11-13-20)17-28-25(32)34-4/h5-16H,17H2,1-4H3,(H,28,32)(H,29,31)(H,30,33)/i4D3
Formel vægt	478.23
Synonym	N-[[4-[[[4-[[(1,1-Dimethylethoxy)carbonyl]amino][1,1'-biphenyl]-3-yl]amino]carbonyl]phenyl]methyl]carbamic Acid Methyl Ester-d3
SMIL	O=C(NC1=CC(C2=CC=CC=C2)=CC=C1NC(OC(C)(C)C)=O)C3=CC=C(CNC(OC([2H])([2H])[2H])=O)C=C3
IUPAC navn	methyl-d3 (4-((4-((tert-butoxycarbonyl)amino)-[1,1'-biphenyl]-3-yl)carbamoyl)benzyl)carbamate
Molekylær formel	C27H26D3N3O5

(±)-Methocarbamol-d3 (methoxy-d3), CDN

Pris og tilgængelighed
Tekniske data

Kemisk navn eller materiale	Methocarbamol-d3
Anbefalet opbevaring	Room Temperature
Molekylvægt (g/mol)	244.26
InChI formel	InChI=1 S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-6-8(13)7-17-11(12)14/h2-5,8,13 H,6-7H2,1H3,(H2,12,14)/i1D3
CAS	1346600-86-9
Formel vægt	244.1139 g/mol
Synonym	3-(2-Methoxyphenoxy)-1,2-propanediol-1-carbamate-d3,3-(o-Methoxyphenoxy) -2-hydroxypropyl Carbamate-d3,AHR 85-d3,Avetil-d3,Delaxin-d3,Etroflex-d3,Lumirelax-d3,Miolaxene-d3,Neuraxin-d3,Relestrid-d3,Robinax-d3;
Procent renhed	99 atom % D, min 98% Chemical Purity
SMIL	[2 H]C([2 H])([2 H])Oc1ccccc1OCC(O)COC(=O)N
IUPAC navn	[2-hydroxy-3-[2-(trideuteriomethoxy)phenoxy]propyl] carbamate
Molekylær formel	C11H12D3NO5

Fenbendazole D3 (methyl D3) 100 μg/mL in Acetonitrile, Dr. Ehrenstorfer

Discover Dr. Ehrenstorfer’s certified reference materials: available in multiple formats, including multi-component regulatory mixtures, to power your food and environmental analysis with traceable, ISO-accredited quality

Pris og tilgængelighed

Fenbendazole-d3 (methyl-d3), CDN

Pris og tilgængelighed
Tekniske data

Kemisk navn eller materiale	Fenbendazole-d3
Anbefalet opbevaring	Room Temperature
Molekylvægt (g/mol)	302.37
InChI formel	InChI=1 S/C15H13N3O2S/c1-20-15(19)18-14-16-12-8-7-11(9-13(12)17-14)21-10-5-3-2-4-6-10/h2-9 H,1H3,(H2,16,17,18,19)/i1D3
CAS	1228182-47-5
Formel vægt	302.0917 g/mol
Synonym	Trideuteriomethyl N-(5-phenylsulfanyl-1 H-benzimidazol-2-yl)carbamate,Trideuteriomethyl N-(6-phenylsulfanyl-1 H-benzimidazol-2-yl)carbamate
Procent renhed	99 atom % D, min 98% Chemical Purity
SMIL	[2 H]C([2 H])([2 H])OC(=O)Nc1nc2ccc(Sc3ccccc3)cc2[nH]1
IUPAC navn	trideuteriomethyl N-(6-phenylsulfanyl-1 H-benzimidazol-2-yl)carbamate
Molekylær formel	C15H10D3N3O2S

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