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十氢化萘-d₁₈CAS号 : 28788-42-3 Compound CID : 2724146分子式: C10D18 分子量: 156.36IUPAC Name: 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecadeuterionaphthaleneSMILES: C1CCC2CCCCC2C1InChIKey: NNBZCPXTIHJBJL-XRRAJICISA-NInChI: InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/i1D2,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D,10D
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双(羰基二硫代)四硫富瓦烯CAS号 : 64394-47-4 Compound CID : 11429069分子式: C8O2S8 分子量: 384.57IUPAC Name: 2-(5-oxo-[1,3]dithiolo[4,5-d][1,3]dithiol-2-ylidene)-[1,3]dithiolo[4,5-d][1,3]dithiol-5-oneSMILES: C1(=C2SC3=C(S2)SC(=O)S3)SC4=C(S1)SC(=O)S4InChIKey: JVSSQMMIVZRMMO-UHFFFAOYSA-NInChI: InChI=1S/C8O2S8/c9-7-15-3-4(16-7)12-1(11-3)2-13-5-6(14-2)18-8(10)17-5
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N，N-二甲基-d6-甘氨酸盐酸盐CAS号 : 347840-03-3 Compound CID : 71308968分子式: C4H4D6ClNO2 分子量: 145.62IUPAC Name: 2-[bis(trideuteriomethyl)amino]acetic acid;hydrochlorideSMILES: CN(C)CC(=O)O.ClInChIKey: FKASAVXZZLJTNX-TXHXQZCNSA-NInChI: InChI=1S/C4H9NO2.ClH/c1-5(2)3-4(6)7;/h3H2,1-2H3,(H,6,7);1H/i1D3,2D3;
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rac-布洛芬-d3CAS号 : 121662-14-4 Compound CID : 12225947分子式: C13H15D3O2 分子量: 209.3IUPAC Name: 3,3,3-trideuterio-2-[4-(2-methylpropyl)phenyl]propanoic acidSMILES: OC(C(C1=CC=C(CC(C)C)C=C1)C([2H])([2H])[2H])=OInChIKey: HEFNNWSXXWATRW-HPRDVNIFSA-NInChI: InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/i3D3
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亚硝基双（2-羟乙基）胺-d8CAS号 : 1173019-53-8 Compound CID : 46782564分子式: C4H2D8N2O3 分子量: 142.18IUPAC Name: N,N-bis(1,1,2,2-tetradeuterio-2-hydroxyethyl)nitrous amideSMILES: C(CO)N(CCO)N=OInChIKey: YFCDLVPYFMHRQZ-SVYQBANQSA-NInChI: InChI=1S/C4H10N2O3/c7-3-1-6(5-9)2-4-8/h7-8H,1-4H2/i1D2,2D2,3D2,4D2
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利培酮-d4CAS号 : 1020719-76-9分子式: C23H23D4FN4O2 分子量: 414.51IUPAC Name: 2-methyl-3-[1,1,2,2-tetradeuterio-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-oneSMILES: CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)FInChIKey: RAPZEAPATHNIPO-RIEWMPPISA-NInChI: InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3/i9D2,13D2
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盐酸阿米替林-d6CAS号 : 203645-63-0 Compound CID : 76974221分子式: C20H18D6ClN 分子量: 319.90IUPAC Name: 3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)-N,N-bis(trideuteriomethyl)propan-1-amine;hydrochlorideSMILES: CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31.ClInChIKey: KFYRPLNVJVHZGT-TXHXQZCNSA-NInChI: InChI=1S/C20H23N.ClH/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20;/h3-6,8-12H,7,13-15H2,1-2H3;1H/i1D3,2D3;
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葡萄糖酸铁（II）CAS号 : 699014-53-4 Compound CID : 22836455分子式: C₁₂H₂₂FeO₁₄ 分子量: 446.14IUPAC Name: iron;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid;hydrateSMILES: C(C(C(C(C(C(=O)O)O)O)O)O)O.C(C(C(C(C(C(=O)O)O)O)O)O)O.O.[Fe]InChIKey: HLBWMQJLOGMNBR-XRDLMGPZSA-NInChI: InChI=1S/2C6H12O7.Fe.H2O/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;/h2*2-5,7-11H,1H2,(H,12,13);;1H2/t2*2-,3-,4+,5-;;/m11../s1
