Name: Doxorubicinol hydrochloride
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214323963
Cas No:63950-05-0
常用名:Doxorubicinol hydrochloride
别名:13-Dihydroadriamycin hydrochloride
IUPAC:(8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-8-[(1S)-1,2-dihydroxyethyl]-6,8,11-trihydroxy-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione hydrochloride
IUPAC:(8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-8-[(1S)-1,2-dihydroxyethyl]-6,8,11-trihydroxy-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione hydrochloride
InChI key:ORLHIGGRLIJIIM-PNOIAXSSSA-N

分子式:C27H32ClNO11
分子量:582
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cl.COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)[C@@H](O)CO
SMILES:Cl.COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)[C@@H](O)CO

Doxorubicinol hydrochloride, also known as 13-Dihydroadriamycin hydrochloride, is a secondary alcohol metabolite derived from Doxorubicin.

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