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    中文名称 英文名称 CAS号 化学式 结构式图片
    —— 2-(5-((1-ethoxy-1-oxopropan-2-yl)oxy)-1-oxoisoquinolin-2(1H)-yl)acetic acid 1030880-15-9 C16H17NO6
    2-(5-((1-ethoxy-1-oxopropan-2-yl)oxy)-1-oxoisoquinolin-2(1H)-yl)acetic acid
    —— 5a-bromo-α-tocopheryl acetate 19849-32-2 C31H51BrO3
    5a-bromo-α-tocopheryl acetate
    —— (E)-N-[(1R,2S,3R,4S)-3-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]but-2-enamide 123821-01-2 C14H23NO2
    (E)-N-[(1R,2S,3R,4S)-3-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]but-2-enamide
    —— 7-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]heptan-1-amine 175692-29-2 C27H34N2
    7-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]heptan-1-amine
    —— tert-butyl N-[(9S,11R)-16-[2-(dimethylamino)acetyl]-14,20-dioxo-7-oxa-13,16,19,23-tetraazatetracyclo[19.3.1.1<sup>26</sup>.0<sup>93</sup>]hexacosa-1(25),2(26),3,5,21,23-hexaen-11-yl]carbamate 1460302-57-1 C30H40N6O6
    tert-butyl N-[(9S,11R)-16-[2-(dimethylamino)acetyl]-14,20-dioxo-7-oxa-13,16,19,23-tetraazatetracyclo[19.3.1.1<sup>26</sup>.0<sup>93</sup>]hexacosa-1(25),2(26),3,5,21,23-hexaen-11-yl]carbamate
    —— 4-(benzoylamino)-1-[N-(1,3-dipivaloyloxyprop-2-yl)acetylaminomethyl]-1H-pyrimidin-2-one 1257309-82-2 C27H36N4O7
    4-(benzoylamino)-1-[N-(1,3-dipivaloyloxyprop-2-yl)acetylaminomethyl]-1H-pyrimidin-2-one
    —— 5-((allyloxy)carbonyl)-2-(bis(3-((R)-4-(4-cyanophenyl)-2,5-dioxo-1-(3-(trifluoromethyl)phenyl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)propyl)carbamoyl)-1-methylpyridin-1-ium bromide 1151655-50-3 Br*C57H47F6N10O7
    5-((allyloxy)carbonyl)-2-(bis(3-((R)-4-(4-cyanophenyl)-2,5-dioxo-1-(3-(trifluoromethyl)phenyl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)propyl)carbamoyl)-1-methylpyridin-1-ium bromide
    —— celecoxib 1591623-47-0 C16H15N3O2S
    celecoxib
    —— 2-((4bR,3R,8aS,9R)-11-(cyclopropylmethyl)-3,8a-dihydroxy-6-oxo-6,7,8,8a,9,10-hexahydro-5H-9,4b-(epiminoethano)phenanthren-7-yl)acetic acid trifluoroacetate 1616556-05-8 C2HF3O2*C22H27NO5
    2-((4bR,3R,8aS,9R)-11-(cyclopropylmethyl)-3,8a-dihydroxy-6-oxo-6,7,8,8a,9,10-hexahydro-5H-9,4b-(epiminoethano)phenanthren-7-yl)acetic acid trifluoroacetate
    —— N-(4-ethoxy-phenyl)-N'-(4-[2]pyridylsulfamoyl-phenyl)-thiourea 102158-01-0 C20H20N4O3S2
    N-(4-ethoxy-phenyl)-N'-(4-[2]pyridylsulfamoyl-phenyl)-thiourea
    —— 3β-hydroxy-5α-fluoropregnan-20-one 1959-08-6 C21H33FO2
    3β-hydroxy-5α-fluoropregnan-20-one
    —— 1-((2-chlorophenyl)(piperidin-1-yl)methyl)naphthalen-2-ol 127530-28-3 C22H22ClNO
    1-((2-chlorophenyl)(piperidin-1-yl)methyl)naphthalen-2-ol
    —— (1S,2R)-2-butylamino-1-phenylpropan-1-ol 126114-32-7 C13H21NO
    (1S,2R)-2-butylamino-1-phenylpropan-1-ol
    —— methyl (3β)-stigmast-5-en-3-yl 2,2'-binaphthalene-3,3'-dicarboxylate 1404075-33-7 C52H64O4
    methyl (3β)-stigmast-5-en-3-yl 2,2'-binaphthalene-3,3'-dicarboxylate
    —— 5-(2-heptyloxyphenyl)isoxazole-3-carboxylic acid 1450606-83-3 C17H21NO4
    5-(2-heptyloxyphenyl)isoxazole-3-carboxylic acid
    —— 5-methyl hydrogen 9-isopropyl-6-methyl-1-[(1E,3E)-4-phenylbuta-1,3-dien-1-yl]heptalene-4,5-dicarboxylate 1454588-41-0 C29H28O4
    5-methyl hydrogen 9-isopropyl-6-methyl-1-[(1E,3E)-4-phenylbuta-1,3-dien-1-yl]heptalene-4,5-dicarboxylate
    —— 4-chloro-N'-(furan-2-ylmethylene)-2-{2-[2-(furan-2-ylmethylene)hydrazinecarbonyl]phenylamino}benzohydrazide 1422064-49-0 C24H18ClN5O4
    4-chloro-N'-(furan-2-ylmethylene)-2-{2-[2-(furan-2-ylmethylene)hydrazinecarbonyl]phenylamino}benzohydrazide
    —— [RhCl(2,6-(CHN(i-Pr))2C5H3N)] 187024-45-9 C13H19ClN3Rh
    [RhCl(2,6-(CHN(i-Pr))2C5H3N)]
    —— (1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-benzyl 9-(3-fluoro-4-(methoxycarbonyl)phenyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysene-3a-carboxylate 1392315-11-5 C45H57FO4
    (1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-benzyl 9-(3-fluoro-4-(methoxycarbonyl)phenyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysene-3a-carboxylate
    —— 4-((6-nitroquinazolin-4-yl)amino)-N-(pyridin-2-yl)benzenesulfonamide 1474030-61-9 C19H14N6O4S
    4-((6-nitroquinazolin-4-yl)amino)-N-(pyridin-2-yl)benzenesulfonamide
    —— tert-butyl-2-(7-cyano-3-(4-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-2-ylthio)acetate 1373278-30-8 C21H18FN3O3S
    tert-butyl-2-(7-cyano-3-(4-fluorophenyl)-4-oxo-3,4-dihydroquinazolin-2-ylthio)acetate
    —— succinic acid mono-[4-[(2-amino-ethylamino)methyl]-3-(3-carboxy-propionyloxy)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl] ester 1309677-09-5 C29H40N2O8
    succinic acid mono-[4-[(2-amino-ethylamino)methyl]-3-(3-carboxy-propionyloxy)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl] ester
    —— 6-O-mPEG6Nalbuphine 1056880-92-2 C34H53NO10
    6-O-mPEG6Nalbuphine
    —— (Z)-2-(5-nitro-2-(4-nitrostyryl)-1H-imidazol-1-yl) ethanol 1522339-04-3 C13H12N4O5
    (Z)-2-(5-nitro-2-(4-nitrostyryl)-1H-imidazol-1-yl) ethanol
    —— cis-(η5-C5Me5)Re(CO)(PMe3)Cl2 123002-21-1 C14H24Cl2OPRe
    cis-(η5-C5Me5)Re(CO)(PMe3)Cl2
    —— 7-(2-bromo-1-hydroxymethylethyl)-1,4-dimethylazulene 123257-41-0 C15H17BrO
    7-(2-bromo-1-hydroxymethylethyl)-1,4-dimethylazulene
    —— (S)-1-[4-(5-chloro-7-morpholin-4-yl-thiazolo[5,4-d]pyrimidin-2-ylmethyl)-piperazin-1-yl]-2-hydroxy-propan-1-one 1137278-74-0 C17H23ClN6O3S
    (S)-1-[4-(5-chloro-7-morpholin-4-yl-thiazolo[5,4-d]pyrimidin-2-ylmethyl)-piperazin-1-yl]-2-hydroxy-propan-1-one
    —— —— 1513862-19-5 C16H36N*C31H26IrN4O4
    —— cis/trans-1,3,4,6,7,11b-Hexahydro-7-hydroxy-7-phenyl-2H-benzo<a>quinolizin-6-one 137965-18-5 C19H19NO2
    cis/trans-1,3,4,6,7,11b-Hexahydro-7-hydroxy-7-phenyl-2H-benzo<a>quinolizin-6-one
    —— (3S,4R)-1-(tert-Butyldimethylsilyl)-4-<(2-methyl-3-oxo-2-propyl)thio>-3-(trimethylsilyl)-2-azetidinone 124831-31-8 C16H33NO2SSi2
    (3S,4R)-1-(tert-Butyldimethylsilyl)-4-<(2-methyl-3-oxo-2-propyl)thio>-3-(trimethylsilyl)-2-azetidinone
    —— asparagine betaine 1363205-70-2 C7H14N2O3
    asparagine betaine
    —— 3-iodo-1-tosyl-1H-indole-5-carbohydrazide 1401349-22-1 C16H14IN3O3S
    3-iodo-1-tosyl-1H-indole-5-carbohydrazide
    —— trans,trans,trans-[PtCl2(acetate)2{E-HN=C(CH3)OCH3}2] 1395301-40-2 C10H20Cl2N2O6Pt
    trans,trans,trans-[PtCl2(acetate)2{E-HN=C(CH3)OCH3}2]
    —— diethyl {2-[N-(1H,3H-pyrimidine-2,4-dion-1-ylmethyl)-N-(p-toluenesulfonyl)amino]ethoxymethyl}phosphonate 1170677-00-5 C19H28N3O8PS
    diethyl {2-[N-(1H,3H-pyrimidine-2,4-dion-1-ylmethyl)-N-(p-toluenesulfonyl)amino]ethoxymethyl}phosphonate
    —— —— 1241902-92-0 C54H99BN6O17S
    —— N-[(S)-1-(Imidazole-1-carbonyl)-3-methyl-butyl]-acetamide 101515-18-8 C11H17N3O2
    N-[(S)-1-(Imidazole-1-carbonyl)-3-methyl-butyl]-acetamide
    —— —— 1057687-20-3 C18H21IN2O2
    —— 1-allyl-3-ethyl-5,6-dihydro-1<i>H</i>,8<i>H</i>-pyrido[2,3-<i>d</i>]pyrimidine-2,4,7-trione 10001-49-7 C12H15N3O3
    1-allyl-3-ethyl-5,6-dihydro-1<i>H</i>,8<i>H</i>-pyrido[2,3-<i>d</i>]pyrimidine-2,4,7-trione
    —— {6-[(4,4-dimethylpiperidin-1-yl)(4-fluorophenyl)methyl]-4'-(trifluoromethyl)biphenyl-3-yl}acetic acid 1257395-12-2 C29H29F4NO2
    {6-[(4,4-dimethylpiperidin-1-yl)(4-fluorophenyl)methyl]-4'-(trifluoromethyl)biphenyl-3-yl}acetic acid
    —— 3-[6-(2-Carbamoyl-ethoxy)-hexa-2,4-diynyloxy]-propionamide 17642-83-0 C12H16N2O4
    3-[6-(2-Carbamoyl-ethoxy)-hexa-2,4-diynyloxy]-propionamide
    —— —— 1257695-10-5 C20H28N6O3
    —— ethyl 2-triphenylphosphoimino-3-(5-phenyl-2-furyl)acrylate 145161-77-9 C33H28NO3P
    ethyl 2-triphenylphosphoimino-3-(5-phenyl-2-furyl)acrylate
    —— 4-(N-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-N-((1-(tetrahydro-2H-pyran-4-yl)-1H-indazol-5-yl)methyl)sulfamoyl)benzoic acid 1370513-92-0 C26H22ClF3N4O5S
    4-(N-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-N-((1-(tetrahydro-2H-pyran-4-yl)-1H-indazol-5-yl)methyl)sulfamoyl)benzoic acid
    —— N-(2-(5-chloro-1H-indol-3-yl)ethyl)-4-methyl-2-(pyrazin-2-yl)thiazole-5-carboxamide 1258501-56-2 C19H16ClN5OS
    N-(2-(5-chloro-1H-indol-3-yl)ethyl)-4-methyl-2-(pyrazin-2-yl)thiazole-5-carboxamide
    —— Ethyl 2-((tert-butoxycarbonyl)amino)-2-(2-phenyl-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate 1951451-54-9 C24H30N2O4
    Ethyl 2-((tert-butoxycarbonyl)amino)-2-(2-phenyl-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate
    —— Benzeneacetic acid, 2-cyano-4-mercapto-5-(trifluoromethoxy)- 1803784-98-6 C10H6F3NO3S
    Benzeneacetic acid, 2-cyano-4-mercapto-5-(trifluoromethoxy)-
    —— isovanillyl 7-methyloctanoate 1000377-98-9 C17H26O4
    isovanillyl 7-methyloctanoate
    —— 5-methylsulfonyl-2-(2-oxooxolan-3-yl)sulfanylbenzoic acid 107191-16-2 C12H12O6S2
    5-methylsulfonyl-2-(2-oxooxolan-3-yl)sulfanylbenzoic acid
    —— 6-(2-(2-methylprop-1-en-1-yl)cyclohex-1-en-1-yl)hex-5-ynenitrile 1330631-15-6 C16H21N
    6-(2-(2-methylprop-1-en-1-yl)cyclohex-1-en-1-yl)hex-5-ynenitrile
    —— 5,9,13-tritosyl-N<sup>1</sup>,N<sup>17</sup>-diformyl-5,9,13-triazaheptadecane-1,17-diamine 121821-24-7 C37H53N5O8S3
    5,9,13-tritosyl-N<sup>1</sup>,N<sup>17</sup>-diformyl-5,9,13-triazaheptadecane-1,17-diamine