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CAS No.	英文名/中文名/SMILES	分子式	分子量
14206-58-7	2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-, (4R,4aR,5S,5aR,6S,12aS)- 差向土霉素 CC1(C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O	C₂₂H₂₄N₂O₉	460.4
612548-45-5	Perindopril arginine Perindopril L-Arginine CCCC(C(=O)OCC)NC(C)C(=O)N1C2CCCCC2CC1C(=O)O.C(CC(C(=O)O)N)CN=C(N)N	C₂₅H₄₆N₆O₇	542.7
85178-60-5	CID 134813607 Pseudomonic Acid D Sodium CC(C1C(O1)CC2COC(C(C2O)O)CC(=CC(=O)OCCCCC=CCCC(=O)[O-])C)C(C)O.[Na+]	C₂₆H₄₁NAO₉	520.6
11006-76-1	Staphylomycin 维吉尼亚霉素 CCC1C(=O)N2CCCC2C(=O)N(C(C(=O)N3CCC(=O)CC3C(=O)NC(C(=O)OC(C(C(=O)N1)NC(=O)C4=C(C=CC=N4)O)C)C5=CC=CC=C5)CC6=CC=CC=C6)C.CC1C=CC(=O)NCC=CC(=CC(CC(=O)CC2=NC(=CO2)C(=O)N3CCC=C3C(=O)OC1C(C)C)O)C	C₇₁H₈₄N₁₀O₁₇	1349.5
1190105-65-7	2-Pyrrolidinyl Desmorpholinylrocuronium Bromide α-(2-Oxopyrrolidino)valerophenone-d6 (major) CC(=O)OC1C(CC2C1(CCC3C2CCC4C3(CC(C(C4)O)N5CCCC5)C)C)[N+]6(CCCC6)CC=C.[Br-]	C₃₂H₅₃BRN₂O₃	593.7
945668-94-0	Quetiapine Dimer Impurity 喹硫平二聚物杂质 C1CN(CCN1C2=NC3=CC=CC=C3SC4=CC=CC=C42)C5=NC6=CC=CC=C6SC7=CC=CC=C75	C₃₀H₂₄N₄S₂	504.7
1027160-12-8	alpha,alpha,alpha',alpha'-Tetramethyl-5-(dibromomethyl)-1,3-benzenediacetonitrile α,α,α',α'-四甲基-5-(二溴甲基)-1,3-苯二乙腈 CC(C)(C#N)C1=CC(=CC(=C1)C(Br)Br)C(C)(C)C#N	C₁₅H₁₆BR₂N₂	384.11
2380-61-2	Thiamine Sulfate Thiamine Sulfate CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOS(=O)(=O)[O-]	C₁₂H₁₆N₄O₄S₂	344.4
911661-90-0	O-(4-Hydroxy-3,5-diiodophenyl)thyroxine Thyroxine-4-hydroxy-3,5-diiodophenyl Ether DISCONTINUED C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)OC3=CC(=C(C(=C3)I)O)I)I)I)CC(C(=O)O)N	C₂₁H₁₃I₆NO₅	1120.8
1268494-46-7	CID 54738039 Tigecycline (open C-ring D-ring) Quinone CC(C)(C)NCC(=O)NC1=CC(=C2CC(CC(=O)C2=C1O)CC3=C(C(=O)C(=C(C3=O)O)C(=O)N)O)N(C)C	C₂₆H₃₂N₄O₈	528.6