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小分子和化合物库
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海柯皂苷元分子式: C27H42O4 分子量: 430.63IUPAC Name: (1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-oneSMILES: CC1CCC2(C(C3C(O2)CC4C3(C(=O)CC5C4CCC6C5(CCC(C6)O)C)C)C)OC1InChIKey: QOLRLLFJMZLYQJ-LOBDNJQFSA-NInChI: 1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-22,24,28H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22+,24+,25+,26-,27-/m1/s1
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植酸 二钾盐CAS号: 129832-03-7 Compound CID : 22838972分子式: C6H16O24P6K2 分子量: 736.22IUPAC Name: dipotassium;[(2R,3S,5R,6R)-2,3,4,5,6-pentaphosphonooxycyclohexyl] phosphateSMILES: C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)([O-])[O-])OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O.[K+].[K+]InChIKey: LFTTXUFEVNNTHA-OKBOCSEJSA-LInChI: See more
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阻燃剂FRC-2CAS号: 20120-33-6分子式: C6H14NO5P 分子量: 211.16IUPAC Name: 3-dimethoxyphosphoryl-N-(hydroxymethyl)propanamideSMILES: COP(=O)(CCC(=O)NCO)OCInChIKey: MCONGYNHPPCHSD-UHFFFAOYSA-NInChI: 1S/C6H14NO5P/c1-11-13(10,12-2)4-3-6(9)7-5-8/h8H,3-5H2,1-2H3,(H,7,9)
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DTSSP交联剂二钠盐CAS号: 142702-31-6分子式: C14H14O14N2S4Na2 分子量: 608.51IUPAC Name: disodium;1-[3-[[3-(2,5-dioxo-3-sulfonatopyrrolidin-1-yl)oxy-3-oxopropyl]disulfanyl]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonateSMILES: C1C(C(=O)N(C1=O)OC(=O)CCSSCCC(=O)ON2C(=O)CC(C2=O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]InChIKey: XRWWBWZHHSXBNC-UHFFFAOYSA-LInChI: 1S/C14H16N2O14S4.2Na/c17-9-5-7(33(23,24)25)13(21)15(9)29-11(19)1-3-31-32-4-2-12(20)30-16-10(18)6-8(14(16)22)34(26,27)28;;/h7-8H,1-6H2,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2
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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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rac-变肾上腺素-d3盐酸盐CAS号: 1215507-88-2 Compound CID : 46782135分子式: C10H13D3ClNO3 分子量: 236.71IUPAC Name: 4-[1-hydroxy-2-(trideuteriomethylamino)ethyl]-2-methoxyphenol;hydrochlorideSMILES: CNCC(C1=CC(=C(C=C1)O)OC)O.ClInChIKey: HRIQFVCFOPJYEQ-NIIDSAIPSA-NInChI: 1S/C10H15NO3.ClH/c1-11-6-9(13)7-3-4-8(12)10(5-7)14-2;/h3-5,9,11-13H,6H2,1-2H3;1H/i1D3;
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度琉平-d3CAS号: 136765-31-6分子式: C19H18D3NS 分子量: 298.46IUPAC Name: (3E)-N,N-dimethyl-3-(1,2,3-trideuterio-6H-benzo[c][1]benzothiepin-11-ylidene)propan-1-amineSMILES: CN(C)CCC=C1C2=CC=CC=C2CSC3=CC=CC=C31InChIKey: PHTUQLWOUWZIMZ-TVUQWVDKSA-NInChI: 1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11+/i5D,6D,10D
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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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羟基环磷酰胺缩氨基脲CAS号: 53948-46-2分子式: C8H18Cl2N5O3P 分子量: 334.14IUPAC Name: [(E)-3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropylideneamino]ureaSMILES: C(COP(=O)(N)N(CCCl)CCCl)C=NNC(=O)NInChIKey: DDSWASMKEIRTLV-YIXHJXPBSA-NInChI: 1S/C8H18Cl2N5O3P/c9-2-5-15(6-3-10)19(12,17)18-7-1-4-13-14-8(11)16/h4H,1-3,5-7H2,(H2,12,17)(H3,11,14,16)/b13-4+
