Name: Topotecan hydrochloride
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212083281
Cas No:119413-54-6
常用名:Topotecan hydrochloride
别名:盐酸拓扑替康, Topotecan HCl, SKFS 104864A, SKF 104864A, NSC609699, NSC 609669, Nogitecan HCl
别名:盐酸拓扑替康, Topotecan HCl, SKFS 104864A, SKF 104864A, NSC609699, NSC 609669, Nogitecan HCl
IUPAC:(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione hydrochloride
IUPAC:(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione hydrochloride
InChI key:DGHHQBMTXTWTJV-BQAIUKQQSA-N

分子式:C23H24ClN3O5
分子量:457.91
氢键供体数 (HBD):2
氢键受体数 (HBA):6
LogP:-0.35709506
SMILES:Cl.CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)c(CN(C)C)c4cc3Cn1c2=O
SMILES:Cl.CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)c(CN(C)C)c4cc3Cn1c2=O

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