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腺嘌呤盐酸盐 水合物分子式: C5H5N5·HCl· xH2O 分子量: 171.59IUPAC Name: 7H-purin-6-amine;hydrate;hydrochlorideSMILES: C1=NC2=NC=NC(=C2N1)N.O.ClInChIKey: MYRDTAUFFBYTHA-UHFFFAOYSA-NInChI: InChI=1S/C5H5N5.ClH.H2O/c6-4-3-5(9-1-7-3)10-2-8-4;;/h1-2H,(H3,6,7,8,9,10);1H;1H2
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新橙皮甙二氢查尔酮CAS号 : 20702-77-6 Compound CID : 30231分子式: C28H36O15 分子量: 612.58IUPAC Name: 1-[4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)propan-1-oneSMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C(C(=C3)O)C(=O)CCC4=CC(=C(C=C4)OC)O)O)CO)O)O)O)O)OInChIKey: ITVGXXMINPYUHD-CUVHLRMHSA-NInChI: InChI=1S/C28H36O15/c1-11-21(34)23(36)25(38)27(40-11)43-26-24(37)22(35)19(10-29)42-28(26)41-13-8-16(32)20(17(33)9-13)14(30)5-3-12-4-6-18(39-2)15(31)7-12/h4,6-9,11,19,21-29,31-38H,3,5,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1
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L-犬尿氨酸水合物分子式: C10H12N2O3·xH2O 分子量: 208.22(as Anhydrous)IUPAC Name: (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acidSMILES: C1=CC=C(C(=C1)C(=O)CC(C(=O)O)N)NInChIKey: YGPSJZOEDVAXAB-QMMMGPOBSA-NInChI: InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1
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氯胺T 三水合物分子式: C7H7CINNaO2S·3H2O 分子量: 281.69IUPAC Name: sodium;chloro-(4-methylphenyl)sulfonylazanide;trihydrateSMILES: CC1=CC=C(C=C1)S(=O)(=O)[N-]Cl.O.O.O.[Na+]InChIKey: NZYOAGBNMCVQIV-UHFFFAOYSA-NInChI: InChI=1S/C7H7ClNO2S.Na.3H2O/c1-6-2-4-7(5-3-6)12(10,11)9-8;;;;/h2-5H,1H3;;3*1H2/q-1;+1;;;
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乙胺嗪柠檬酸盐分子式: C10H21N3O·C6H8O7 分子量: 391.42IUPAC Name: N,N-diethyl-4-methylpiperazine-1-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acidSMILES: CCN(CC)C(=O)N1CCN(CC1)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)OInChIKey: PGNKBEARDDELNB-UHFFFAOYSA-NInChI: InChI=1S/C10H21N3O.C6H8O7/c1-4-12(5-2)10(14)13-8-6-11(3)7-9-13;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-9H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
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2'-氟-2'-脱氧胞苷CAS号 : 10212-20-1 Compound CID : 101507分子式: C9H12FN3O4 分子量: 245.21IUPAC Name: 4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-oneSMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)FInChIKey: NVZFZMCNALTPBY-XVFCMESISA-NInChI: InChI=1S/C9H12FN3O4/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6-,7-,8-/m1/s1
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5-溴-4'-氯水杨酰苯胺分子式: C13H9BrClNO2 分子量: 326.57IUPAC Name: 5-bromo-N-(4-chlorophenyl)-2-hydroxybenzamideSMILES: C1=CC(=CC=C1NC(=O)C2=C(C=CC(=C2)Br)O)ClInChIKey: QBSGXIBYUQJHMJ-UHFFFAOYSA-NInChI: InChI=1S/C13H9BrClNO2/c14-8-1-6-12(17)11(7-8)13(18)16-10-4-2-9(15)3-5-10/h1-7,17H,(H,16,18)
