Name: RPR132595A
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212670262
Cas No:185304-42-1
常用名:RPR132595A
别名:NPC
IUPAC:(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-7-yl 4-aminopiperidine-1-carboxylate
IUPAC:(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-7-yl 4-aminopiperidine-1-carboxylate
InChI key:APWFTHDYKJHNEV-NDEPHWFRSA-N

分子式:C28H30N4O6
分子量:518.57
氢键供体数 (HBD):2
氢键受体数 (HBA):6
LogP:0.99401045
SMILES:CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(N)CC3)cc12
SMILES:CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(N)CC3)cc12

RPR132595A is an active CPT-11 metabolite, it is generated by cytochrome P-450 3A4 (CYP3A4).

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