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甲基泼尼松龙标准溶液分子式: C22H30O5 分子量: 374.47IUPAC Name: (6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-oneSMILES: CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)OInChIKey: VHRSUDSXCMQTMA-PJHHCJLFSA-NInChI: InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1
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克立咪唑分子式: C19H20ClN3 分子量: 325.84IUPAC Name: 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazoleSMILES: C1CCN(C1)CC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)ClInChIKey: CJXAEXPPLWQRFR-UHFFFAOYSA-NInChI: InChI=1S/C19H20ClN3/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2
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YM-58483 (BTP2）CAS号 : 223499-30-7 Compound CID : 2455分子式: C15H9F6N5OS 分子量: 421.32IUPAC Name: N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamideSMILES: CC1=C(SN=N1)C(=O)NC2=CC=C(C=C2)N3C(=CC(=N3)C(F)(F)F)C(F)(F)FInChIKey: XPRZIORDEVHURQ-UHFFFAOYSA-NInChI: InChI=1S/C15H9F6N5OS/c1-7-12(28-25-23-7)13(27)22-8-2-4-9(5-3-8)26-11(15(19,20)21)6-10(24-26)14(16,17)18/h2-6H,1H3,(H,22,27)
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6-OAUCAS号 : 83797-69-7 Compound CID : 10354234分子式: C12H21N3O2 分子量: 239.31IUPAC Name: 6-(octylamino)-1H-pyrimidine-2,4-dioneSMILES: CCCCCCCCNC1=CC(=O)NC(=O)N1InChIKey: PFSWASUQURIOOR-UHFFFAOYSA-NInChI: InChI=1S/C12H21N3O2/c1-2-3-4-5-6-7-8-13-10-9-11(16)15-12(17)14-10/h9H,2-8H2,1H3,(H3,13,14,15,16,17)
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氟灭酸分子式: C14H10F3NO2 分子量: 281.23IUPAC Name: 2-[3-(trifluoromethyl)anilino]benzoic acidSMILES: C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC(=C2)C(F)(F)FInChIKey: LPEPZBJOKDYZAD-UHFFFAOYSA-NInChI: InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)
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甲基泼尼松龙（U 7532）分子式: C22H30O5 分子量: 374.47IUPAC Name: (6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-oneSMILES: CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)OInChIKey: VHRSUDSXCMQTMA-PJHHCJLFSA-NInChI: InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1
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6-OAUCAS号 : 83797-69-7 Compound CID : 10354234分子式: C12H21N3O2 分子量: 239.31IUPAC Name: 6-(octylamino)-1H-pyrimidine-2,4-dioneSMILES: CCCCCCCCNC1=CC(=O)NC(=O)N1InChIKey: PFSWASUQURIOOR-UHFFFAOYSA-NInChI: InChI=1S/C12H21N3O2/c1-2-3-4-5-6-7-8-13-10-9-11(16)15-12(17)14-10/h9H,2-8H2,1H3,(H3,13,14,15,16,17)
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YM-58483 (BTP2）CAS号 : 223499-30-7 Compound CID : 2455分子式: C15H9F6N5OS 分子量: 421.32IUPAC Name: N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamideSMILES: CC1=C(SN=N1)C(=O)NC2=CC=C(C=C2)N3C(=CC(=N3)C(F)(F)F)C(F)(F)FInChIKey: XPRZIORDEVHURQ-UHFFFAOYSA-NInChI: InChI=1S/C15H9F6N5OS/c1-7-12(28-25-23-7)13(27)22-8-2-4-9(5-3-8)26-11(15(19,20)21)6-10(24-26)14(16,17)18/h2-6H,1H3,(H,22,27)
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DiprovocimCAS号 : 2170867-89-5 Compound CID : 137553173分子式: C56H56N6O6 分子量: 909.08IUPAC Name: (3S,4S)-1-[4-[(3S,4S)-3,4-bis[[(1S,2R)-2-phenylcyclopropyl]carbamoyl]pyrrolidine-1-carbonyl]benzoyl]-3-N,4-N-bis[(1S,2R)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxamideSMILES: C1C(C1NC(=O)C2CN(CC2C(=O)NC3CC3C4=CC=CC=C4)C(=O)C5=CC=C(C=C5)C(=O)N6CC(C(C6)C(=O)NC7CC7C8=CC=CC=C8)C(=O)NC9CC9C1=CC=CC=C1)C1=CC=CC=C1InChIKey: ABZBNXFGYUSVCJ-UYMKNZQYSA-NInChI: InChI=1S/C56H56N6O6/c63-51(57-47-25-39(47)33-13-5-1-6-14-33)43-29-61(30-44(43)52(64)58-48-26-40(48)34-15-7-2-8-16-34)55(67)37-21-23-38(24-22-37)56(68)62-31-45(53(65)59-49-27-41(49)35-17-9-3-10-18-35)46(32-62)54(66)60-50-28-42(50)36-19-11-4-12-20-36/h1-24,39-50H,25-32H2,(H,57,63)(H,58,64)(H,59,65)(H,60,66)/t39-,40-,41-,42-,43-,44-,45-,46-,47+,48+,49+,50+/m1/s1
