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L-甲硫氨酸-甲基-d3CAS号 : 13010-53-2 Compound CID : 15556503分子式: CD3SCH2CH2CH(NH2)CO2H 分子量: 152.23IUPAC Name: (2S)-2-amino-4-(trideuteriomethylsulfanyl)butanoic acidSMILES: CSCCC(C(=O)O)NInChIKey: FFEARJCKVFRZRR-OSIBIXDNSA-NInChI: InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1/i1D3
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D-葡萄糖-6,6-d2CAS号 : 18991-62-3 Compound CID : 12285871分子式: C6H10D2O6 分子量: 182.168IUPAC Name: (3R,4S,5S,6R)-6-[dideuterio(hydroxy)methyl]oxane-2,3,4,5-tetrolSMILES: C(C1C(C(C(C(O1)O)O)O)O)OInChIKey: WQZGKKKJIJFFOK-VARZTKRMSA-NInChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1/i1D2
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D-葡萄糖-1-dCAS号 : 106032-61-5 Compound CID : 12285889分子式: HOCH2[CHOH]4CDO 分子量: 181.16IUPAC Name: (3R,4S,5S,6R)-2-deuterio-6-(hydroxymethyl)oxane-2,3,4,5-tetrolSMILES: C(C1C(C(C(C(O1)O)O)O)O)OInChIKey: WQZGKKKJIJFFOK-QVTRYHEBSA-NInChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1/i6D
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NG,NG ′-二甲基-L-精氨酸 二(对羟基偶氮苯对磺酸) 盐CAS号 : 1266235-58-8 Compound CID : 72943047分子式: C9H10ClF2NO 分子量: 221.63IUPAC Name: 7,8-difluoro-3,4-dihydro-2H-chromen-4-amine;hydrochlorideSMILES: C1COC2=C(C1N)C=CC(=C2F)F.ClInChIKey: UUOXQIUITFURPF-UHFFFAOYSA-NInChI: InChI=1S/C9H9F2NO.ClH/c10-6-2-1-5-7(12)3-4-13-9(5)8(6)11;/h1-2,7H,3-4,12H2;1H
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聚肌苷酸-聚胞苷酸 钾盐CAS号 : 31852-29-6 Compound CID : 137031716分子式: (C10H13N4O8P)x.(C9H14N3O8P)x.xKSMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O.C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O.[K]InChIKey: KHPUABRWHJGXNJ-VRQAYDGLSA-NInChI: InChI=1S/C10H13N4O8P.C9H14N3O8P.K/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18;/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20);1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18);/t4-,6-,7-,10-;4-,6-,7-,8-;/m11./s1
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聚肌苷酸-聚胞苷酸 钠盐CAS号 : 42424-50-0 Compound CID : 137229713分子式: (C10H13N4O8P)x.(C9H14N3O8P)x.xNaSMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O.C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O.[Na]InChIKey: GETQKWBYQAUFQM-VRQAYDGLSA-NInChI: InChI=1S/C10H13N4O8P.C9H14N3O8P.Na/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18;/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20);1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18);/t4-,6-,7-,10-;4-,6-,7-,8-;/m11./s1
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壳聚糖分子式: (C6H11NO4)nIUPAC Name: methyl N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamateInChIKey: FLASNYPZGWUPSU-SICDJOISSA-NInChI: InChI=1S/C56H103N9O39/c1-87-56(86)65-28-38(84)46(19(10-74)96-55(28)104-45-18(9-73)95-49(27(64)37(45)83)97-39-12(3-67)88-47(85)20(57)31(39)77)103-54-26(63)36(82)44(17(8-72)94-54)102-53-25(62)35(81)43(16(7-71)93-53)101-52-24(61)34(80)42(15(6-70)92-52)100-51-23(60)33(79)41(14(5-69)91-51)99-50-22(59)32(78)40(13(4-68)90-50)98-48-21(58)30(76)29(75)11(2-66)89-48/h11-55,66-85H,2-10,57-64H2,1H3,(H,65,86)/t11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48+,49+,50+,51+,52+,53+,54+,55+/m1/s1
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DL-苯基-D5-丙氨酸CAS号 : 284664-89-7 Compound CID : 13000995分子式: C9H6D5NO2 分子量: 170.22IUPAC Name: 2-amino-3-(2,3,4,5,6-pentadeuteriophenyl)propanoic acidSMILES: C1=CC=C(C=C1)CC(C(=O)O)NInChIKey: COLNVLDHVKWLRT-RALIUCGRSA-NInChI: InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/i1D,2D,3D,4D,5D
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克伦特罗-D9CAS号 : 129138-58-5分子式: C12H9Cl2D9N2O 分子量: 286.24IUPAC Name: 1-(4-amino-3,5-dichlorophenyl)-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]ethanolSMILES: CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)OInChIKey: STJMRWALKKWQGH-GQALSZNTSA-NInChI: InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3/i1D3,2D3,3D3
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厄洛替尼-d6，盐酸盐CAS号 : 1189953-78-3 Compound CID : 46781490分子式: C22H18D6ClN3O4 分子量: 399.48 + 36.46IUPAC Name: N-(3-ethynylphenyl)-6,7-bis[2-(trideuteriomethoxy)ethoxy]quinazolin-4-amine;hydrochlorideSMILES: COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC.ClInChIKey: GTTBEUCJPZQMDZ-HVTBMTIBSA-NInChI: InChI=1S/C22H23N3O4.ClH/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22;/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25);1H/i2D3,3D3;
