按“信号通路”分类 - 小分子和化合物库 | 纯度: ≥95 atom% D,≥97%, ≥98 atom% D(deuterated forms d0-d5),≥97%, ≥98 atom% 15N,≥98 atom% 13C

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伊曲康唑-d5 (主要)
- ≥98 atom% D(deuterated forms d0-d5),≥97%
CAS号 : 1217510-38-7 Compound CID : 45039617

分子式: C₃₅H₃₃D₅Cl₂N₈O₄ 分子量: 710.66

IUPAC Name: 4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-(3,3,4,4,4-pentadeuteriobutan-2-yl)-1,2,4-triazol-3-one

SMILES: CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl

InChIKey: VHVPQPYKVGDNFY-VXTATNQMSA-N

InChI: InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25?,31-,35-/m0/s1/i1D3,3D2
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4-吡哆酸-d3
- ≥95 atom% D,≥97%
CAS号 : 1435934-03-4 Compound CID : 117064439

分子式: C₈H₆D₃NO₄ 分子量: 186.18

IUPAC Name: 3-hydroxy-5-(hydroxymethyl)-2-(trideuteriomethyl)pyridine-4-carboxylic acid

SMILES: CC1=NC=C(C(=C1O)C(=O)O)CO

InChIKey: HXACOUQIXZGNBF-FIBGUPNXSA-N

InChI: InChI=1S/C8H9NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2,10-11H,3H2,1H3,(H,12,13)/i1D3
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L-丙氨酸-¹³C₃,¹⁵N
- ≥98 atom% 15N,≥98 atom% 13C
CAS号 : 202407-38-3 Compound CID : 16213447

分子式: 13CH₃13CH(15NH₂)13CO₂H 分子量: 93.06

IUPAC Name: (2S)-2-(15N)azanyl(1,2,3-13C3)propanoic acid

SMILES: CC(C(=O)O)N

InChIKey: QNAYBMKLOCPYGJ-UVYXLFMMSA-N

InChI: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1+1,2+1,3+1,4+1
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