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头孢丙烯一水合物CAS号 : 121123-17-9 Compound CID : 6436628分子式: C18H21N3O6S 分子量: 407.45IUPAC Name: (6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-[(E)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrateSMILES: CC=CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O.OInChIKey: ALYUMNAHLSSTOU-CIRGZYLNSA-NInChI: InChI=1S/C18H19N3O5S.H2O/c1-2-3-10-8-27-17-13(16(24)21(17)14(10)18(25)26)20-15(23)12(19)9-4-6-11(22)7-5-9;/h2-7,12-13,17,22H,8,19H2,1H3,(H,20,23)(H,25,26);1H2/b3-2+;/t12-,13-,17-;/m1./s1
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L -谷氨酸-2,3,3,4,4-d5分子式: C5H4D5NO4 分子量: 152.16IUPAC Name: (2S)-2-amino-2,3,3,4,4-pentadeuteriopentanedioic acidSMILES: C(CC(=O)O)C(C(=O)O)NInChIKey: WHUUTDBJXJRKMK-NKXUJHECSA-NInChI: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1/i1D2,2D2,3D
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乙酰水杨酸-d4CAS号 : 97781-16-3 Compound CID : 46780045分子式: C9H4D4O4 分子量: 184.18IUPAC Name: 2-acetyloxy-3,4,5,6-tetradeuteriobenzoic acidSMILES: CC(=O)OC1=CC=CC=C1C(=O)OInChIKey: BSYNRYMUTXBXSQ-QFFDRWTDSA-NInChI: InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)/i2D,3D,4D,5D
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尼美舒利-d5CAS号 : 1330180-22-7 Compound CID : 71750951分子式: C13H7D5N2O5S 分子量: 313.34IUPAC Name: N-[4-nitro-2-(2,3,4,5,6-pentadeuteriophenoxy)phenyl]methanesulfonamideSMILES: CS(NC(C=CC([N+]([O-])=O)=C1)=C1OC2=C([2H])C([2H])=C([2H])C([2H])=C2[2H])(=O)=OInChIKey: HYWYRSMBCFDLJT-VIQYUKPQSA-NInChI: InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3/i2D,3D,4D,5D,6D
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犬尿酸-d5CAS号 : 350820-13-2分子式: C10H2D5NO3 分子量: 194.20IUPAC Name: 3,5,6,7,8-pentadeuterio-4-hydroxyquinoline-2-carboxylic acidSMILES: C1=CC=C2C(=C1)C(=CC(=N2)C(=O)O)OInChIKey: HCZHHEIFKROPDY-RALIUCGRSA-NInChI: InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)/i1D,2D,3D,4D,5D
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达沙替尼-d8CAS号 : 1132093-70-9 Compound CID : 25226418分子式: C22H18D8ClN7O2S 分子量: 496.05IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[2,2,3,3,5,5,6,6-octadeuterio-4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamideSMILES: CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCOInChIKey: ZBNZXTGUTAYRHI-COMRDEPKSA-NInChI: InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)/i6D2,7D2,8D2,9D2
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1-金刚烷-d15-胺CAS号 : 33830-10-3分子式: C10H2D15N 分子量: 166.34IUPAC Name: 2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecadeuterioadamantan-1-amineSMILES: C1C2CC3CC1CC(C2)(C3)NInChIKey: DKNWSYNQZKUICI-BXSQCBKHSA-NInChI: InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2/i1D2,2D2,3D2,4D2,5D2,6D2,7D,8D,9D
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L-精氨酸-¹³C₆,¹⁵N₄盐酸盐CAS号 : 202468-25-5 Compound CID : 71310244分子式: 13C6H15Cl¹⁵N4O2 分子量: 220.59IUPAC Name: (2S)-2-(15N)azanyl-5-[bis(15N)(azanyl)(113C)methylideneamino](1,2,3,4,5-13C5)pentanoic acid;hydrochlorideSMILES: C(CC(C(=O)O)N)CN=C(N)N.ClInChIKey: KWTQSFXGGICVPE-YAUSPDTOSA-NInChI: InChI=1S/C6H14N4O2.ClH/c7-4(5(11)12)2-1-3-10-6(8)9;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H/t4-;/m0./s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1;
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