按“信号通路”分类 - 小分子和化合物库 | 纯度: ≥95 atom% D,≥95%, ≥99 atom% 13C,≥96%, ≥95 atom% D,≥98%

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甘氨脱氧胆酸-2,2,4,4-d4
- ≥95 atom% D,≥95%
CAS号 : 1069132-37-1 Compound CID : 71309868

分子式: C₂₆H₃₉D₄NO₅ 分子量: 453.65

IUPAC Name: 2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,12-dihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid

SMILES: CC(CCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C

InChIKey: WVULKSPCQVQLCU-JHVXYEQYSA-N

InChI: InChI=1S/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17-,18+,19-,20+,21+,22+,25+,26-/m1/s1/i10D2,12D2
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Nudifloramide-d3
- ≥95 atom% D,≥95%
CAS号 : 1207384-48-2 Compound CID : 71751269

分子式: C₇H₅D₃N₂O₂ 分子量: 155.17

IUPAC Name: 6-oxo-1-(trideuteriomethyl)pyridine-3-carboxamide

SMILES: CN1C=C(C=CC1=O)C(=O)N

InChIKey: JLQSXXWTCJPCBC-FIBGUPNXSA-N

InChI: InChI=1S/C7H8N2O2/c1-9-4-5(7(8)11)2-3-6(9)10/h2-4H,1H3,(H2,8,11)/i1D3
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叶酸-d4
- ≥95 atom% D,≥95%
CAS号 : 171777-72-3 Compound CID : 136219942

分子式: C₁₉H₁₅D₄N₇O₆ 分子量: 445.42

IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]-2,3,5,6-tetradeuteriobenzoyl]amino]pentanedioic acid

SMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N

InChIKey: OVBPIULPVIDEAO-ALIZGMTFSA-N

InChI: InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1/i1D,2D,3D,4D
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尼洛替尼-d3
- ≥95 atom% D,≥95%
CAS号 : 1215678-43-5 Compound CID : 49849405

分子式: C₂₈H₁₉D₃F₃N₇O 分子量: 532.53

IUPAC Name: 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-N-[3-[4-(trideuteriomethyl)imidazol-1-yl]-5-(trifluoromethyl)phenyl]benzamide

SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5

InChIKey: HHZIURLSWUIHRB-BMSJAHLVSA-N

InChI: InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)/i2D3
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左乙拉西坦-d3
- ≥95 atom% D,≥98%
CAS号 : 1217851-16-5 Compound CID : 45039653

分子式: C₈H₁₁D₃N₂O₂ 分子量: 173.23

IUPAC Name: (2S)-4,4,4-trideuterio-2-(2-oxopyrrolidin-1-yl)butanamide

SMILES: CCC(C(=O)N)N1CCCC1=O

InChIKey: HPHUVLMMVZITSG-FYFSCIFKSA-N

InChI: InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m0/s1/i1D3
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棕榈酸-d31
- ≥95 atom% D,≥98%
CAS号 : 39756-30-4 Compound CID : 16212358

分子式: C₁₆D₃₁HO₂ 分子量: 287.62

IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuteriohexadecanoic acid

SMILES: CCCCCCCCCCCCCCCC(=O)O

InChIKey: IPCSVZSSVZVIGE-SAQPIRCFSA-N

InChI: InChI=1S/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)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2
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氨氯地平-d4马来酸盐
- ≥95 atom% D,≥95%
CAS号 : 1185246-15-4

分子式: C₂₄H₂₅D₄ClN₂O₉ 分子量: 528.97

IUPAC Name: (Z)-but-2-enedioic acid;3-O-ethyl 5-O-methyl 2-[(2-amino-1,1,2,2-tetradeuterioethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

SMILES: NC([2H])([2H])C([2H])([2H])OCC1=C(C(OCC)=O)C(C2=CC=CC=C2Cl)C(C(OC)=O)=C(C)N1.O=C(O)/C=C\C(O)=O

InChIKey: TZNOWAJJWCGILX-IBTKSTAFSA-N

InChI: InChI=1S/C20H25ClN2O5.C4H4O4/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21;5-3(6)1-2-4(7)8/h5-8,17,23H,4,9-11,22H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/i9D2,10D2;
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苯乙醛酸-d5
- ≥95 atom% D,≥98%
CAS号 : 1217089-53-6 Compound CID : 46782741

分子式: C₈HD₅O₃ 分子量: 155.16

IUPAC Name: 2-oxo-2-(2,3,4,5,6-pentadeuteriophenyl)acetic acid

SMILES: C1=CC=C(C=C1)C(=O)C(=O)O

InChIKey: FAQJJMHZNSSFSM-RALIUCGRSA-N

InChI: InChI=1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11)/i1D,2D,3D,4D,5D
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4'-羟基双氯芬酸-D4
- ≥95 atom% D,≥95%
CAS号 : 254762-27-1 Compound CID : 10805325

分子式: C₁₄H₇D₄Cl₂NO₃ 分子量: 316.17

IUPAC Name: 2-[2,3,4,5-tetradeuterio-6-(2,6-dichloro-4-hydroxyanilino)phenyl]acetic acid

SMILES: C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=C(C=C2Cl)O)Cl

InChIKey: KGVXVPRLBMWZLG-RHQRLBAQSA-N

InChI: InChI=1S/C14H11Cl2NO3/c15-10-6-9(18)7-11(16)14(10)17-12-4-2-1-3-8(12)5-13(19)20/h1-4,6-7,17-18H,5H2,(H,19,20)/i1D,2D,3D,4D
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4-羟基雌酮-d4
- ≥95 atom% D,≥98%
CAS号 : 81586-98-3 Compound CID : 71749017

分子式: C₁₈H₁₈D₄O₃ 分子量: 290.39

IUPAC Name: (8R,9S,13S,14S)-1,2,16,16-tetradeuterio-3,4-dihydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one

SMILES: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4O)O

InChIKey: XQZVQQZZOVBNLU-RFZGAVBWSA-N

InChI: InChI=1S/C18H22O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,19,21H,2-3,5,7-9H2,1H3/t11-,12-,14+,18+/m1/s1/i4D,6D,7D2
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普罗布考-丙酰基-¹³C3
- ≥99 atom% 13C,≥96%
CAS号 : 1173019-29-8

分子式: ¹³C₃C₂₈H₄₈O₂S₂ 分子量: 519.82

SMILES: CC(C)(C)c1cc(S[13C]([13CH3])([13CH3])Sc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C

InChIKey: FYPMFJGVHOHGLL-DGVNISHSSA-N

InChI: 1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3/i13+1,14+1,31+1
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