小分子和化合物库
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偏钨酸钠(POM-1)CAS号: 12141-67-2 Compound CID : 71311259分子式: H2O40Na6W12 分子量: 2986.01SMILES: See moreInChIKey: YVQUUPJGDSQKML-UHFFFAOYSA-N
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克霉唑-d5CAS号: 1185076-41-8分子式: C22H12D5ClN2 分子量: 349.87IUPAC Name: 1-[(2-chlorophenyl)-(2,3,4,5,6-pentadeuteriophenyl)-phenylmethyl]imidazoleSMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CN=C4InChIKey: VNFPBHJOKIVQEB-MBRJKSRSSA-NInChI: 1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H/i1D,3D,4D,9D,10D
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胆固醇-5-烯-3β,25-二醇-d6CAS号: 88247-69-2分子式: C27H40D6O2 分子量: 408.69IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-7,7,7-trideuterio-6-hydroxy-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olSMILES: CC(CCCC(C)(C)O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)CInChIKey: INBGSXNNRGWLJU-KHKDDIDZSA-NInChI: 1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1/i2D3,3D3
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D-糖酸钙四水合物CAS号: 5793-89-5分子式: C6H8CaO8·4H2O 分子量: 320.3IUPAC Name: calcium;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate;tetrahydrateSMILES: C(C(C(C(=O)[O-])O)O)(C(C(=O)[O-])O)O.O.O.O.O.[Ca+2]InChIKey: ZQWFSIZRQANUDA-WQMSYZFBSA-LInChI: 1S/C6H10O8.Ca.4H2O/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;;;;;/h1-4,7-10H,(H,11,12)(H,13,14);;4*1H2/q;+2;;;;/p-2/t1-,2-,3-,4+;;;;;/m0...../s1
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L-丙氨酸-2-¹³C,¹⁵NCAS号: 285977-86-8分子式: CH313CH(15NH2)CO2H 分子量: 91.08IUPAC Name: (2R)-2-(15N)azanyl(213C)propanoic acidSMILES: CC(C(=O)O)NInChIKey: QNAYBMKLOCPYGJ-GMWHYDPQSA-NInChI: 1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1/i2+1,4+1
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L-丙氨酸-3,3,3-d₃CAS号: 63546-27-0分子式: C3H4D3NO2 分子量: 92.11IUPAC Name: (2S)-2-amino-3,3,3-trideuteriopropanoic acidSMILES: CC(C(=O)O)NInChIKey: QNAYBMKLOCPYGJ-VGCLAIIRSA-NInChI: 1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1/i1D3
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L-亮氨酸-5,5,5-d₃CAS号: 87828-86-2分子式: CH3CH(CD3)CH2CH(NH2)CO2H 分子量: 134.19IUPAC Name: (2S)-2-amino-5,5,5-trideuterio-4-methylpentanoic acidSMILES: CC(C)CC(C(=O)O)NInChIKey: ROHFNLRQFUQHCH-LONBSJBQSA-NInChI: 1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1/i1D3/t4?,5-
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甘氨酸-2-¹³C,¹⁵NCAS号: 91795-59-4分子式: H215N13CH2CO2H 分子量: 77.05IUPAC Name: 2-(15N)azanylacetic acidSMILES: C(C(=O)O)NInChIKey: DHMQDGOQFOQNFH-ZKDXJZICSA-NInChI: 1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/i1+1,3+1
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胍-¹³C,¹⁵N₃盐酸盐CAS号: 285977-73-3分子式: 13CH6Cl¹⁵N3 分子量: 99.5IUPAC Name: (13C)guanidine;hydrochlorideSMILES: C(=N)(N)N.ClInChIKey: PJJJBBJSCAKJQF-UJNKEPEOSA-NInChI: 1S/CH5N3.ClH/c2-1(3)4;/h(H5,2,3,4);1H/i1+1,2+1,3+1,4+1;
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