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CAS No.	英文名/中文名/SMILES	分子式	分子量
1185179-33-2	Acyclovir-d4 氘代-2-氨基-1,9-二氢-9-[(2-羟乙氧基)甲基]-6H-鸟嘌呤-6-酮 C1=NC2=C(N1COCCO)N=C(NC2=O)N	C₈H₁₁N₅O₃	229.23
786686-79-1	Olanzapine-d3 奥氮平-d3 CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)C	C₁₇H₂₀N₄S	315.5
107077-98-5	rac trans-2-Phenylcyclopropylamine-d5 Hydrochloride 反式-2-(苯基-D5)环丙胺盐酸盐 C1C(C1N)C2=CC=CC=C2.Cl	C₉H₁₂ClN	174.68
791013-22-4	(S)-Warfarin-d5 S-(-)-Warfarin-d5 CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O	C₁₉H₁₆O₄	313.4
773005-79-1	(R)-Warfarin-d5 R-(+)-Warfarin-d5 CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O	C₁₉H₁₆O₄	313.4
1189983-52-5	Dipyridamole-D20 (Major) Dipyridamole-d20 (Major) C1CCN(CC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCC4)N(CCO)CCO)N(CCO)CCO	C₂₄H₄₀N₈O₄	524.7
106817-52-1	Felbamate-d4 Felbamate-d4 C1=CC=C(C=C1)C(COC(=O)N)COC(=O)N	C₁₁H₁₄N₂O₄	242.26
1356841-89-8	(1R,9S,12S,13R,14S,17R,18Z,21S,23S,24R,25S,27R)-17-(3,3-Dideuterio(313C)prop-2-enyl)-1,14-dihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone 他克莫司-13C,D2 CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC	C₄₄H₆₉NO₁₂	807.0
1329809-23-5	Dronedarone-d6 Hydrochloride Dronedarone-d6 Hydrochloride CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC.Cl	C₃₁H₄₅ClN₂O₅S	599.3
1263184-13-9	(3Z,8R,9S,10R,13S,14S,17R)-2,2,4,6,6,10-hexadeuterio-13-ethyl-17-ethynyl-3-hydroxyimino-7,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-ol 17-Desacetyl Norgestimate-d6 (Major) CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=NO)CCC34	C₂₁H₂₉NO₂	333.5