科华智慧（深圳）创新药物研发有限公司-天然产物化合物库-创新药物研发-波谱智能解析-化合物冷冻电镜结构解析

天然产物数据库

您可快速检索70万⁺天然产物信息

检索最多: 白僵菌素大品种冬虫夏草人参三七党参大戟决明半夏丁香

CAS No.	英文名/中文名/SMILES	分子式	分子量
1217677-38-7	Desmethyl Levofloxacin-d8 Hydrochloride 左氧氟沙星-d8 盐酸盐 CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCNCC4)F)C(=O)O.Cl	C₁₇H₁₉ClFN₃O₄	391.8
127684-07-5	3beta,5alpha,6beta-Trihydroxycholestane-d7 3β,5α,6β-Trihydroxycholestane-d7 CC(C)CCCC(C)C1CCC2C1(CCC3C2CC(C4(C3(CCC(C4)O)C)O)O)C	C₂₇H₄₈O₃	427.7
1189671-27-9	Amoxapine-d8 Amoxapine-d8 C1CN(CCN1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl	C₁₇H₁₆ClN₃O	321.8
164365-16-6	N-Desmethyl Tamoxifen-d5 N-Desmethyl Tamoxifen-d5 CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCNC)C3=CC=CC=C3	C₂₅H₂₇NO	362.5
1246816-98-7	Raltegravir-d3 Potassium Salt Raltegravir-d3 Potassium Salt CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)[O-])C(=O)NCC3=CC=C(C=C3)F.[K+]	C₂₀H₂₀FKN₆O₅	485.5
1246819-08-8	Lapatinib-13C2,15N Ditosylate 拉帕替尼-13C2,15N二甲苯磺酰酯 CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl	C₄₃H₄₂ClFN₄O₁₀S₃	928.4
1217650-77-5	cis-5-Fluoro-1-[2-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-1,3-oxathiolan-5-yl]-2,4(1H,3H)-pyrimidinedione-13C,15N2 cis-5-Fluoro-1-[2-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-1,3-oxathiolan-5-yl]-2,4(1H,3H)-py CC(C)(C)[Si](C)(C)OCC1OC(CS1)N2C=C(C(=O)NC2=O)F	C₁₄H₂₃FN₂O₄SSI	365.47
51805-95-9	2-Amino-2-methylpropanol-d6 2-Amino-2-methylpropanol-d6 CC(C)(CO)N	C₄H₁₁NO	95.17
1185243-70-2	Eprosartan-d3 Eprosartan-d3 CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C=C(CC3=CC=CS3)C(=O)O	C₂₃H₂₄N₂O₄S	427.5
1217724-52-1	(R)-Lercanidipine-d3 Hydrochloride (R)-Lercanidipine-d3 Hydrochloride CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)CN(C)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC.Cl	C₃₆H₄₂ClN₃O₆	651.2