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1,2-二油酰基-sn-甘油-3-磷酸乙醇胺-N-(生物素)(钠盐)CAS号: 384835-53-4 Compound CID : 156593867分子式: C51H92N3NaO10PS 分子量: 993.3SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2)OC(=O)CCCCCCCC=CCCCCCCCC.[Na]InChIKey: BQZBJHZLJJOUSL-AOAFAMOJSA-NInChI: See more
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雷奈酸锶分子式: C12H6N2O8SSr2 分子量: 513.49IUPAC Name: distrontium;5-[bis(carboxylatomethyl)amino]-3-(carboxylatomethyl)-4-cyanothiophene-2-carboxylateSMILES: C(C1=C(SC(=C1C#N)N(CC(=O)[O-])CC(=O)[O-])C(=O)[O-])C(=O)[O-].[Sr+2].[Sr+2]InChIKey: XXUZFRDUEGQHOV-UHFFFAOYSA-JInChI: 1S/C12H10N2O8S.2Sr/c13-2-6-5(1-7(15)16)10(12(21)22)23-11(6)14(3-8(17)18)4-9(19)20;;/h1,3-4H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22);;/q;2*+2/p-4
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甘氨脱氧胆酸-2,2,4,4-d4CAS号: 1069132-37-1分子式: C26H39D4NO5 分子量: 453.65IUPAC Name: See more SMILES: CC(CCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)CInChIKey: WVULKSPCQVQLCU-JHVXYEQYSA-NInChI: See more
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Nudifloramide-d3CAS号: 1207384-48-2分子式: C7H5D3N2O2 分子量: 155.17IUPAC Name: 6-oxo-1-(trideuteriomethyl)pyridine-3-carboxamideSMILES: CN1C=C(C=CC1=O)C(=O)NInChIKey: JLQSXXWTCJPCBC-FIBGUPNXSA-NInChI: 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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TUG-424CAS号: 1082058-99-8 Compound CID : 25150014分子式: C18H16O2 分子量: 264.32IUPAC Name: 3-[4-[2-(2-methylphenyl)ethynyl]phenyl]propanoic acidSMILES: CC1=CC=CC=C1C#CC2=CC=C(C=C2)CCC(=O)OInChIKey: FODHWOBAQBTTFS-UHFFFAOYSA-NInChI: 1S/C18H16O2/c1-14-4-2-3-5-17(14)12-10-15-6-8-16(9-7-15)11-13-18(19)20/h2-9H,11,13H2,1H3,(H,19,20)
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反式，反式-粘康酸-d4CAS号: 1185239-59-1分子式: C6H2D4O4 分子量: 146.13IUPAC Name: (2E,4E)-2,3,4,5-tetradeuteriohexa-2,4-dienedioic acidSMILES: C(=CC(=O)O)C=CC(=O)OInChIKey: TXXHDPDFNKHHGW-NFCKNUJASA-NInChI: 1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1+,4-2+/i1D,2D,3D,4D
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叶酸-d4CAS号: 171777-72-3分子式: C19H15D4N7O6 分子量: 445.42IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]-2,3,5,6-tetradeuteriobenzoyl]amino]pentanedioic acidSMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)NInChIKey: OVBPIULPVIDEAO-ALIZGMTFSA-NInChI: See more
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唑尼酰胺-d4CAS号: 1020720-04-0 Compound CID : 45040707分子式: C8H4D4N2O3S 分子量: 216.25IUPAC Name: (4,5,6,7-tetradeuterio-1,2-benzoxazol-3-yl)methanesulfonamideSMILES: C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)NInChIKey: UBQNRHZMVUUOMG-RHQRLBAQSA-NInChI: 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
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尼洛替尼-d3CAS号: 1215678-43-5分子式: C28H19D3F3N7O 分子量: 532.53IUPAC Name: 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-N-[3-[4-(trideuteriomethyl)imidazol-1-yl]-5-(trifluoromethyl)phenyl]benzamideSMILES: 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=C5InChIKey: HHZIURLSWUIHRB-BMSJAHLVSA-NInChI: 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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氨氯地平-d4马来酸盐CAS号: 1185246-15-4分子式: C24H25D4ClN2O9 分子量: 528.97IUPAC 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-dicarboxylateSMILES: 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)=OInChIKey: TZNOWAJJWCGILX-IBTKSTAFSA-NInChI: 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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4'-羟基双氯芬酸-D4CAS号: 254762-27-1分子式: C14H7D4Cl2NO3 分子量: 316.17IUPAC Name: 2-[2,3,4,5-tetradeuterio-6-(2,6-dichloro-4-hydroxyanilino)phenyl]acetic acidSMILES: C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=C(C=C2Cl)O)ClInChIKey: KGVXVPRLBMWZLG-RHQRLBAQSA-NInChI: 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
