Name: Guan-fu base A hydrochloride(1394-48-5 free base)
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT218852595
Cas No:618094-85-2
常用名:Guan-fu base A hydrochloride(1394-48-5 free base)
常用名:Guan-fu base A hydrochloride(1394-48-5 free base)
IUPAC:(1S,3S,5R,8S,9R,10R,11R,14R,16S,17R,18S,19S)-3-(acetyloxy)-9,19-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0^{1,8}.0^{5,17}.0^{7,16}.0^{9,14}.0^{14,18}]nonadecan-10-yl acetate hydrochloride
IUPAC:(1S,3S,5R,8S,9R,10R,11R,14R,16S,17R,18S,19S)-3-(acetyloxy)-9,19-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0^{1,8}.0^{5,17}.0^{7,16}.0^{9,14}.0^{14,18}]nonadecan-10-yl acetate hydrochloride
InChI key:XLEKGZKRQPLVMO-KAEXOAASSA-N

分子式:C24H32ClNO6
分子量:465.97
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cl.[H][C@@]12C[C@]34CC(=C)[C@]5([H])[C@@H](O)[C@@]3([H])[C@@]36C[C@H](C[C@@](C)(CN1[C@]3([H])[C@@]4(O)[C@@H]5OC(C)=O)[C@@]26[H])OC(C)=O
SMILES:Cl.[H][C@@]12C[C@]34CC(=C)[C@]5([H])[C@@H](O)[C@@]3([H])[C@@]36C[C@H](C[C@@](C)(CN1[C@]3([H])[C@@]4(O)[C@@H]5OC(C)=O)[C@@]26[H])OC(C)=O

Guan-fu base A hydrochloride(1394-48-5 free base) 是一种从乌头中分离得到的抗心律失常生物碱。它是一种 CYP2D6 人类、猴子和狗同工型的抑制剂。

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