Stable Isotopes

Cas#: 1020720-04-0        Compound CID:  45040707

Formula:  C₈H₄D₄N₂O₃S        Molecular Weight: 216.25

IUPAC Name: (4,5,6,7-tetradeuterio-1,2-benzoxazol-3-yl)methanesulfonamide

SMILES: C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)N

InChIKey: UBQNRHZMVUUOMG-RHQRLBAQSA-N

InChI: InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)/i1D,2D,3D,4D

Cas#: 81872-10-8 unlabeled        Compound CID:  92400

Formula:  C₂₂H₁₈D₅NO₄S₂        Molecular Weight: 434.58

IUPAC Name: (2S,4S)-1-[(2S)-3-benzoylsulfanyl-2-methylpropanoyl]-4-phenylsulfanylpyrrolidine-2-carboxylic acid

SMILES: CC(CSC(=O)C1=CC=CC=C1)C(=O)N2CC(CC2C(=O)O)SC3=CC=CC=C3

InChIKey: IAIDUHCBNLFXEF-MNEFBYGVSA-N

InChI: InChI=1S/C22H23NO4S2/c1-15(14-28-22(27)16-8-4-2-5-9-16)20(24)23-13-18(12-19(23)21(25)26)29-17-10-6-3-7-11-17/h2-11,15,18-19H,12-14H2,1H3,(H,25,26)/t15-,18+,19+/m1/s1

Cas#: 106658-09-7        Compound CID:  12203880

Formula:  C₃H₂D₇N        Molecular Weight: 66.15

IUPAC Name: 1,1,1,2,3,3,3-heptadeuteriopropan-2-amine

SMILES: CC(C)N

InChIKey: JJWLVOIRVHMVIS-YYWVXINBSA-N

InChI: InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3/i1D3,2D3,3D

Cas#: 1329652-02-9        Compound CID:  355427302

Formula:  C₁₄H₈D₄N₄O₂S        Molecular Weight: 304.36

Cas#: 21259-20-1(unlabeled)       

Formula:  13C₂₄H₃₄O₉        Molecular Weight: 490.35

Cas#: 157698-32-3        Compound CID:  3036736

Formula:  C₂₆H₂₄D₅NO        Molecular Weight: 376.55

IUPAC Name: N,N-dimethyl-2-[4-[(Z)-3,3,4,4,4-pentadeuterio-1,2-diphenylbut-1-enyl]phenoxy]ethanamine

SMILES: CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3

InChIKey: NKANXQFJJICGDU-FUYVPVGLSA-N

InChI: InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-/i1D3,4D2

Cas#: 1265476-97-8        Compound CID:  46782976

Formula:  C₂₆H₃₉D₅NNaO₅S        Molecular Weight: 510.72

IUPAC Name: sodium;2-[[(4R)-4-[(3R,5R,8R,10S,13R,14S)-2,2,3,4,4-pentadeuterio-3-hydroxy-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate

SMILES: CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C.[Na+]

InChIKey: YAERYJYXPRIDTO-SDXLJUFPSA-M

InChI: InChI=1S/C26H45NO5S.Na/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3;/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32);/q;+1/p-1/t17-,18-,19-,20+,21?,22+,23?,25+,26-;/m1./s1/i10D2,16D2,19D;

Cas#: 1093258-28-6        Compound CID:  91820603

Formula:  C₂₅H₂₆F₃O₅SD₅        Molecular Weight: 505.61

IUPAC Name: [(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 2,2,3,3,3-pentadeuteriopropanoate

SMILES: CCC(=O)OC1(C(CC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C)C(=O)SCF

InChIKey: WMWTYOKRWGGJOA-AMTWIDTLSA-N

InChI: InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1/i1D3,5D2

Cas#: 3424-98-4(unlabelled)       

Formula:  C₁₀H₁₁D₃N₂O₅        Molecular Weight: 245.25

Cas#: 1266676-01-0       

Formula:  C₂₅H₂₄D₆ClN₃        Molecular Weight: 414.02

IUPAC Name: [4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-bis(trideuteriomethyl)azanium;chloride

SMILES: CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C.[Cl-]

InChIKey: ZXJXZNDDNMQXFV-TXHXQZCNSA-M

InChI: InChI=1S/C25H30N3.ClH/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;/h7-18H,1-6H3;1H/q+1;/p-1/i1D3,2D3;

Cas#: 936233-18-0        Compound CID:  45158903

Formula:  C₈H₁₆N₂O₄        Molecular Weight: 208.25

IUPAC Name: (2S)-2-amino-6-(carboxymethylamino)-4,4,5,5-tetradeuteriohexanoic acid

SMILES: C(CCNCC(=O)O)CC(C(=O)O)N

InChIKey: NUXSIDPKKIEIMI-WCEGGVOZSA-N

InChI: InChI=1S/C8H16N2O4/c9-6(8(13)14)3-1-2-4-10-5-7(11)12/h6,10H,1-5,9H2,(H,11,12)(H,13,14)/t6-/m0/s1/i1D2,2D2

Cas#: 6485-58-1        Compound CID:  2724853

Formula:  C₂D₅I        Molecular Weight: 161

IUPAC Name: 1,1,1,2,2-pentadeuterio-2-iodoethane

SMILES: CCI

InChIKey: HVTICUPFWKNHNG-ZBJDZAJPSA-N

InChI: InChI=1S/C2H5I/c1-2-3/h2H2,1H3/i1D3,2D2