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小分子和化合物库
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氯化胆碱 d4 氯化物CAS号: 285979-70-6 Compound CID : 71309026分子式: C5H10D4ClNO 分子量: 143.65IUPAC Name: trimethyl-(1,1,2,2-tetradeuterio-2-hydroxyethyl)azanium;chlorideSMILES: [Cl-].[2H]C([2H])(O)C([2H])([2H])[N+](C)(C)CInChIKey: SGMZJAMFUVOLNK-HGFPCDIYSA-MInChI: 1S/C5H14NO.ClH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1/i4D2,5D2;
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L-甲硫氨酸-¹³C₅,¹⁵NCAS号: 202468-47-1分子式: 13CH3S13CH213CH213CH(15NH2)13CO2H 分子量: 155.17SMILES: [13CH3]S[13CH2][13CH2][13C@H]([15NH2])[13C](O)=OInChIKey: FFEARJCKVFRZRR-XAFSXMPTSA-NInChI: 1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1
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丙酮二酸钠 一水合物分子式: C3H2Na2O6 分子量: 180.02IUPAC Name: disodium;2,2-dihydroxypropanedioateSMILES: C(=O)(C(C(=O)[O-])(O)O)[O-].[Na+].[Na+]InChIKey: HMBGDJCPFGQLIO-UHFFFAOYSA-LInChI: 1S/C3H4O6.2Na/c4-1(5)3(8,9)2(6)7;;/h8-9H,(H,4,5)(H,6,7);;/q;2*+1/p-2
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利奈唑胺 d3CAS号: 1127120-38-0分子式: C16H17D3FN3O4 分子量: 340.36IUPAC Name: 2,2,2-trideuterio-N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamideSMILES: CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)FInChIKey: TYZROVQLWOKYKF-FUPFOCIHSA-NInChI: 1S/C16H20FN3O4/c1-11(21)18-9-13-10-20(16(22)24-13)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1/i1D3
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DL-Cystine-d6CAS号: 352431-53-9分子式: C6H6D6N2O4S2 分子量: 246.34SMILES: NC(C(O)=O)([2H])C([2H])([2H])SSC([2H])([2H])C(N)([2H])C(O)=O
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甲硝唑-d3CAS号: 83413-09-6分子式: C6H6D3N3O3 分子量: 174.17SMILES: OCCN1C([N+]([O-])=O)=CN=C1C([2H])([2H])[2H]
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2-异丙烯基-5-甲基-5-乙烯基四氢呋喃(异构体混合物)CAS号: 13679-86-2分子式: C10H16O 分子量: 152.24IUPAC Name: 2-ethenyl-2-methyl-5-prop-1-en-2-yloxolaneSMILES: CC(=C)C1CCC(O1)(C)C=CInChIKey: XIGFNCYVSHOLIF-UHFFFAOYSA-NInChI: 1S/C10H16O/c1-5-10(4)7-6-9(11-10)8(2)3/h5,9H,1-2,6-7H2,3-4H3
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2'-OMe-G(dmf) 亚磷酰胺单体CAS号: 128219-77-2分子式: C44H55N8O8P 分子量: 854.93IUPAC Name: N'-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-methoxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamideSMILES: CC(C)N(C(C)C)P(OCCC#N)OC1C(OC(C1OC)N2C=NC3=C2N=C(NC3=O)N=CN(C)C)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OCInChIKey: ZGDBCILCTOHNAB-NANSYJOBSA-NInChI: See more
