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1-甲基-4-苯基-1,2,3,6-四氢吡啶盐酸盐CAS号: 23007-85-4分子式: C12H16ClN 分子量: 209.715IUPAC Name: 1-methyl-4-phenyl-3,6-dihydro-2H-pyridine;hydrochlorideSMILES: CN1CCC(=CC1)C2=CC=CC=C2.ClInChIKey: KOWJANGMTAZWDT-UHFFFAOYSA-NInChI: 1S/C12H15N.ClH/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11;/h2-7H,8-10H2,1H3;1H
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牛磺石胆酸3-硫酸二钠盐CAS号: 64936-83-0 Compound CID : 92043494分子式: C26H43NO8S2Na2 分子量: 607.73IUPAC Name: disodium;2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-sulfonatooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonateSMILES: CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OS(=O)(=O)[O-])C)C.[Na+].[Na+]InChIKey: YHTVOGLKSGJIDL-RLHFEMFKSA-LInChI: See more
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DifenidolIUPAC Name: 1,1-diphenyl-4-(piperidin-1-yl)butan-1-olSMILES: OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1InChIKey: OGAKLTJNUQRZJU-UHFFFAOYSA-NInChI: 1S/C21H27NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1-2,4-7,11-14,23H,3,8-10,15-18H2
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阿巴卡韦CAS号: 136470-78-5分子式: C14H18N6O 分子量: 286.33IUPAC Name: [(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanolSMILES: C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)C4CC(C=C4)COInChIKey: MCGSCOLBFJQGHM-SCZZXKLOSA-NInChI: 1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m1/s1
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全反式视黄醛分子式: C20H28O 分子量: 284.44IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenalSMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=O)C)CInChIKey: NCYCYZXNIZJOKI-OVSJKPMPSA-NInChI: 1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
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阿西莫司CAS号: 51037-30-0分子式: C6H6N2O3 分子量: 154.12IUPAC Name: 5-methyl-4-oxidopyrazin-4-ium-2-carboxylic acidSMILES: CC1=CN=C(C=[N+]1[O-])C(=O)OInChIKey: DJQOOSBJCLSSEY-UHFFFAOYSA-NInChI: 1S/C6H6N2O3/c1-4-2-7-5(6(9)10)3-8(4)11/h2-3H,1H3,(H,9,10)
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5-氮杂-2'-脱氧胞苷分子式: C8H12N4O4 分子量: 228.21IUPAC Name: 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-oneSMILES: C1C(C(OC1N2C=NC(=NC2=O)N)CO)OInChIKey: XAUDJQYHKZQPEU-KVQBGUIXSA-NInChI: 1S/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5+,6+/m0/s1
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L-胱硫醚CAS号: 56-88-2分子式: C7H14N2O4S 分子量: 222.26IUPAC Name: (2S)-2-amino-4-[(2R)-2-amino-2-carboxyethyl]sulfanylbutanoic acidSMILES: C(CSCC(C(=O)O)N)C(C(=O)O)NInChIKey: ILRYLPWNYFXEMH-WHFBIAKZSA-NInChI: 1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1
