小分子和化合物库
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Mafosfamide Sodium SaltCAS号: 84211-05-2分子式: C9H18Cl2N2NaO5PS2 分子量: 423.25IUPAC Name: 2-[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2λ5-oxazaphosphinan-4-yl]sulfanyl]ethanesulfonic acidSMILES: C1COP(=O)(NC1SCCS(=O)(=O)O)N(CCCl)CCClInChIKey: PBUUPFTVAPUWDE-UHFFFAOYSA-NInChI: 1S/C9H19Cl2N2O5PS2/c10-2-4-13(5-3-11)19(14)12-9(1-6-18-19)20-7-8-21(15,16)17/h9H,1-8H2,(H,12,14)(H,15,16,17)
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普罗布考-丙酰基-¹³C3CAS号: 1173019-29-8分子式: ¹³C3C28H48O2S2 分子量: 519.82SMILES: CC(C)(C)c1cc(S[13C]([13CH3])([13CH3])Sc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)CInChIKey: FYPMFJGVHOHGLL-DGVNISHSSA-NInChI: 1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3/i13+1,14+1,31+1
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α-酮戊二酸钠 钠盐CAS号: 22202-68-2 EC号: 244-836-6分子式: HOOCCH2CH2COCOONa 分子量: 168.08IUPAC Name: sodium;5-hydroxy-2,5-dioxopentanoateSMILES: C(CC(=O)O)C(=O)C(=O)[O-].[Na+]InChIKey: MOTOGHHLNTXPTI-UHFFFAOYSA-MInChI: 1S/C5H6O5.Na/c6-3(5(9)10)1-2-4(7)8;/h1-2H2,(H,7,8)(H,9,10);/q;+1/p-1
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