Name: 21-hydroxy Eplerenone
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214320983
Cas No:334678-67-0
常用名:21-hydroxy Eplerenone
IUPAC:methyl (1'R,2R,2'S,9'R,10'R,11'S,15'S,17'R)-4-hydroxy-2',15'-dimethyl-5,5'-dioxo-18'-oxaspiro[oxolane-2,14'-pentacyclo[8.8.0.0^{1,17}.0^{2,7}.0^{11,15}]octadecan]-6'-ene-9'-carboxylate
IUPAC:methyl (1'R,2R,2'S,9'R,10'R,11'S,15'S,17'R)-4-hydroxy-2',15'-dimethyl-5,5'-dioxo-18'-oxaspiro[oxolane-2,14'-pentacyclo[8.8.0.0^{1,17}.0^{2,7}.0^{11,15}]octadecan]-6'-ene-9'-carboxylate
InChI key:TVCONGKEWSYBKD-NBACNWMZSA-N

分子式:C24H30O7
分子量:430.497
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12C[C@@]3(C)[C@@]([H])(CC[C@@]33CC(O)C(=O)O3)[C@]3([H])[C@@H](CC4=CC(=O)CC[C@]4(C)[C@@]13O2)C(=O)OC |t:22|
SMILES:[H][C@@]12C[C@@]3(C)[C@@]([H])(CC[C@@]33CC(O)C(=O)O3)[C@]3([H])[C@@H](CC4=CC(=O)CC[C@]4(C)[C@@]13O2)C(=O)OC |t:22|

21-hydroxy Eplerenone is a major metabolite of the mineralocorticoid receptor antagonist eplerenone . It is formed from eplerenone by the cytochrome P450 (CYP) isoform CYP3A4.

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