Name: Clometherone
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212711678
Cas No:5591-27-5
常用名:Clometherone
别名:Lilly-38000, Lilly38000, Lilly 38000, Clometeron
别名:Lilly-38000, Lilly38000, Lilly 38000, Clometeron
IUPAC:(1S,2R,3aS,3bS,5S,9aR,9bS,11aS)-1-acetyl-5-chloro-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
IUPAC:(1S,2R,3aS,3bS,5S,9aR,9bS,11aS)-1-acetyl-5-chloro-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
InChI key:UMRURYMAPMZKQO-NDKKBYRMSA-N

分子式:C22H31ClO2
分子量:362.94
氢键供体数 (HBD):0
氢键受体数 (HBA):2
LogP:4.5594044
SMILES:[H][C@@]12C[C@@H](C)[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](Cl)C2=CC(=O)CC[C@]12C |t:22|
SMILES:[H][C@@]12C[C@@H](C)[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](Cl)C2=CC(=O)CC[C@]12C |t:22|

Clometherone is a synthetic pregnane steroid and derivative of progesterone which is used as an antiestrogen and antiandrogen.

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