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药物代谢物
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3-(羟基甲基膦酰)丙酸（MPP）CAS号: 15090-23-0 EC号: 239-144-6分子式: C4H9O4P 分子量: 152.09IUPAC Name: 3-[hydroxy(methyl)phosphoryl]propanoic acidSMILES: CP(=O)(CCC(=O)O)OInChIKey: QXFUBAAEKCHBQY-UHFFFAOYSA-NInChI: 1S/C4H9O4P/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)
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3-甲基-喹噁啉-2-羧酸CAS号: 74003-63-7分子式: C10H8N2O2 分子量: 188.183IUPAC Name: 3-methylquinoxaline-2-carboxylic acidSMILES: CC1=NC2=CC=CC=C2N=C1C(=O)OInChIKey: BJPNADFNSANIPF-UHFFFAOYSA-NInChI: 1S/C10H8N2O2/c1-6-9(10(13)14)12-8-5-3-2-4-7(8)11-6/h2-5H,1H3,(H,13,14)
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二十碳五烯酸甲酯CAS号: 2734-47-6分子式: CH3(CH2CH=CH)5(CH2)3CO2CH3 分子量: 316.48IUPAC Name: methyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoateSMILES: CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCInChIKey: QWDCYFDDFPWISL-JEBPEJKESA-NInChI: 1S/C21H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h4-5,7-8,10-11,13-14,16-17H,3,6,9,12,15,18-20H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-
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醋磺胺甲噁唑CAS号: 21312-10-7分子式: C12H13N3O4S 分子量: 295.314IUPAC Name: N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamideSMILES: CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CInChIKey: GXPIUNZCALHVBA-UHFFFAOYSA-NInChI: 1S/C12H13N3O4S/c1-8-7-12(14-19-8)15-20(17,18)11-5-3-10(4-6-11)13-9(2)16/h3-7H,1-2H3,(H,13,16)(H,14,15)
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N-[11-(二氟亚甲基二硼化硼)十一烷酰基] -D-赤型-鞘氨醇CAS号: 1246355-58-7 Compound CID : 125305975分子式: C42H70N3O3F2 分子量: 713.831IUPAC Name: 11-(2,2-difluoro-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-8-yl)-N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]undecanamideSMILES: [B-]1(N2C(=CC(=C2C(=C3[N+]1=C(C=C3C)C)CCCCCCCCCCC(=O)NC(CO)C(C=CCCCCCCCCCCCCC)O)C)C)(F)FInChIKey: NGWZKZIJSBUOIZ-BOOOSZIVSA-NInChI: See more
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(±)-去甲维拉帕米盐酸盐CAS号: 67812-42-4分子式: C15H15Si 分子量: 477.04IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-propan-2-ylpentanenitrile;hydrochlorideSMILES: CC(C)C(CCCNCCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.ClInChIKey: OEAFTRIDBHSJDC-UHFFFAOYSA-NInChI: 1S/C26H36N2O4.ClH/c1-19(2)26(18-27,21-9-11-23(30-4)25(17-21)32-6)13-7-14-28-15-12-20-8-10-22(29-3)24(16-20)31-5;/h8-11,16-17,19,28H,7,12-15H2,1-6H3;1H
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N-乙酰苯醌亚胺CAS号: 50700-49-7分子式: C8H7NO2 分子量: 149.147IUPAC Name: N-(4-oxocyclohexa-2,5-dien-1-ylidene)acetamideSMILES: CC(=O)N=C1C=CC(=O)C=C1InChIKey: URNSECGXFRDEDC-UHFFFAOYSA-NInChI: 1S/C8H7NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5H,1H3
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N-去甲基氯氮平CAS号: 6104-71-8分子式: C17H17ClN4 分子量: 312.8IUPAC Name: 3-chloro-6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepineSMILES: C1CN(CCN1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42InChIKey: JNNOSTQEZICQQP-UHFFFAOYSA-NInChI: 1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2
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盐酸去甲替林分子式: C19H21N · HCl 分子量: 299.84IUPAC Name: N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;hydrochlorideSMILES: CNCCC=C1C2=CC=CC=C2CCC3=CC=CC=C31.ClInChIKey: SHAYBENGXDALFF-UHFFFAOYSA-NInChI: 1S/C19H21N.ClH/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19;/h2-5,7-11,20H,6,12-14H2,1H3;1H
![N-[11-(二氟亚甲基二硼化硼)十一烷酰基] -D-赤型-鞘氨醇](https://mgt-en248.env.aladdin-e.com/media/catalog/product/cache/376550291f0b07c370a96cc20f301bc2/N/1/N130272.png)
