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小分子和化合物库
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托拉唑胺分子式: C14H21N3O3S 分子量: 311.4IUPAC Name: 1-(azepan-1-yl)-3-(4-methylphenyl)sulfonylureaSMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CCCCCC2InChIKey: OUDSBRTVNLOZBN-UHFFFAOYSA-NInChI: 1S/C14H21N3O3S/c1-12-6-8-13(9-7-12)21(19,20)16-14(18)15-17-10-4-2-3-5-11-17/h6-9H,2-5,10-11H2,1H3,(H2,15,16,18)
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3,5-二碘-L-甲状腺素CAS号: 1041-01-6分子式: C15H13I2NO4 分子量: 525.08IUPAC Name: (2S)-2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acidSMILES: C1=CC(=CC=C1O)OC2=C(C=C(C=C2I)CC(C(=O)O)N)IInChIKey: ZHSOTLOTTDYIIK-ZDUSSCGKSA-NInChI: 1S/C15H13I2NO4/c16-11-5-8(7-13(18)15(20)21)6-12(17)14(11)22-10-3-1-9(19)2-4-10/h1-6,13,19H,7,18H2,(H,20,21)/t13-/m0/s1
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D-葡萄糖-¹³C₆,1,2,3,4,5,6,6-d₇CAS号: 201417-01-8分子式: 13C6H5D7O6 分子量: 193.15IUPAC Name: (2R,3S,4R,5R)-1,2,3,4,5,6,6-heptadeuterio-2,3,4,5,6-pentahydroxy(1,2,3,4,5,6-13C6)hexan-1-oneSMILES: C(C(C(C(C(C=O)O)O)O)O)OInChIKey: GZCGUPFRVQAUEE-VVZLUFAVSA-NInChI: 1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1/i1+1D,2+1D2,3+1D,4+1D,5+1D,6+1D
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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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多巴胺盐酸盐-d4CAS号: 203633-19-6分子式: C8H7D4NO2·HCl 分子量: 193.66IUPAC Name: 4-(2-amino-1,1,2,2-tetradeuterioethyl)benzene-1,2-diol;hydrochlorideSMILES: C1=CC(=C(C=C1CCN)O)O.ClInChIKey: CTENFNNZBMHDDG-URZLSVTISA-NInChI: 1S/C8H11NO2.ClH/c9-4-3-6-1-2-7(10)8(11)5-6;/h1-2,5,10-11H,3-4,9H2;1H/i3D2,4D2;
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苯妥英-d10CAS号: 65854-97-9分子式: C15H2D10N2O2 分子量: 262.33IUPAC Name: 5,5-bis(2,3,4,5,6-pentadeuteriophenyl)imidazolidine-2,4-dioneSMILES: C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3InChIKey: CXOFVDLJLONNDW-LHNTUAQVSA-NInChI: 1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D
