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盐酸金霉素分子式: C22H23ClN2O8·HCL 分子量: 515.34IUPAC Name: (4S,4aS,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochlorideSMILES: Cl.CN(C)[C@H]1[C@@H]2CC3C(=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O)C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)OInChIKey: QYAPHLRPFNSDNH-MRFRVZCGSA-NInChI: InChI=1S/C22H23ClN2O8.ClH/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21;/h4-5,7-8,15,26-27,30,32-33H,6H2,1-3H3,(H2,24,31);1H/t7-,8-,15-,21-,22-;/m0./s1
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芸苔素唑CAS号 : 224047-41-0 Compound CID : 15477807分子式: C18H18ClN3O 分子量: 327.81IUPAC Name: 4-(4-chlorophenyl)-2-phenyl-3-(1,2,4-triazol-1-yl)butan-2-olSMILES: CC(C1=CC=CC=C1)(C(CC2=CC=C(C=C2)Cl)N3C=NC=N3)OInChIKey: YULDTPKHZNKFEY-UHFFFAOYSA-NInChI: InChI=1S/C18H18ClN3O/c1-18(23,15-5-3-2-4-6-15)17(22-13-20-12-21-22)11-14-7-9-16(19)10-8-14/h2-10,12-13,17,23H,11H2,1H3
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N-(9-环丙基-1-氧代壬基)-N-羟基-β-丙氨酸CAS号 : 1453071-47-0 Compound CID : 71735843分子式: C15H27NO4 分子量: 285.38IUPAC Name: 3-[9-cyclopropylnonanoyl(hydroxy)amino]propanoic acidSMILES: C1CC1CCCCCCCCC(=O)N(CCC(=O)O)OInChIKey: NEHSERYKENINRH-UHFFFAOYSA-NInChI: InChI=1S/C15H27NO4/c17-14(16(20)12-11-15(18)19)8-6-4-2-1-3-5-7-13-9-10-13/h13,20H,1-12H2,(H,18,19)
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盐酸阿米替林-d6CAS号 : 203645-63-0 Compound CID : 76974221分子式: C20H18D6ClN 分子量: 319.90IUPAC Name: 3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)-N,N-bis(trideuteriomethyl)propan-1-amine;hydrochlorideSMILES: CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31.ClInChIKey: KFYRPLNVJVHZGT-TXHXQZCNSA-NInChI: InChI=1S/C20H23N.ClH/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20;/h3-6,8-12H,7,13-15H2,1-2H3;1H/i1D3,2D3;
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Gamma-glutamylcysteine TFACAS号 : 283159-88-6 Compound CID : 139035037分子式: C10H15F3N2O7S 分子量: 364.30IUPAC Name: (2S)-2-amino-5-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-5-oxopentanoic acid;2,2,2-trifluoroacetic acidSMILES: C(CC(=O)NC(CS)C(=O)O)C(C(=O)O)N.C(=O)(C(F)(F)F)OInChIKey: WBAPFIMTGPKLNF-FHAQVOQBSA-NInChI: InChI=1S/C8H14N2O5S.C2HF3O2/c9-4(7(12)13)1-2-6(11)10-5(3-16)8(14)15;3-2(4,5)1(6)7/h4-5,16H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15);(H,6,7)/t4-,5-;/m0./s1
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7-脱氢胆固醇-25,26,26,26,27,27,27-d₇CAS号 : 388622-58-0 Compound CID : 70699278分子式: C27H37D7O 分子量: 391.68IUPAC Name: (3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-olSMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)CInChIKey: UCTLRSWJYQTBFZ-UDEPUTHCSA-NInChI: InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1/i1D3,2D3,18D
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氯霉素琥珀酸钠盐分子式: C15H15Cl2N2NaO8 分子量: 445.19IUPAC Name: sodium;4-[(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxobutanoateSMILES: C1=CC(=CC=C1C(C(COC(=O)CCC(=O)[O-])NC(=O)C(Cl)Cl)O)[N+](=O)[O-].[Na+]InChIKey: RPLOPBHEZLFENN-HTMVYDOJSA-MInChI: InChI=1S/C15H16Cl2N2O8.Na/c16-14(17)15(24)18-10(7-27-12(22)6-5-11(20)21)13(23)8-1-3-9(4-2-8)19(25)26;/h1-4,10,13-14,23H,5-7H2,(H,18,24)(H,20,21);/q;+1/p-1/t10-,13-;/m1./s1
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雌酮-2,3,4-¹³C₃溶液CAS号 : 1241684-29-6 Compound CID : 66995388分子式: C1513C3H22O2 分子量: 273.34IUPAC Name: (8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-oneSMILES: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OInChIKey: DNXHEGUUPJUMQT-JTCDCFKFSA-NInChI: InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1/i3+1,10+1,12+1
