Name: Estromustine
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212677872
Cas No:62899-40-5
常用名:Estromustine
别名:Leo-271 f, Leo271 f, Leo 271 f
IUPAC:(3aS,3bR,9bS,11aS)-11a-methyl-1-oxo-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl N,N-bis(2-chloroethyl)carbamate
IUPAC:(3aS,3bR,9bS,11aS)-11a-methyl-1-oxo-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl N,N-bis(2-chloroethyl)carbamate
InChI key:AXWYROHIFVWHMR-UGTOYMOASA-N

分子式:C23H29Cl2NO3
分子量:438.39
氢键供体数 (HBD):0
氢键受体数 (HBA):2
LogP:5.6626415
SMILES:[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(OC(=O)N(CCCl)CCCl)cc3CC[C@@]21[H]
SMILES:[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(OC(=O)N(CCCl)CCCl)cc3CC[C@@]21[H]

Estromustine is a major active metabolite of the cystotatic estrogen and nitrogen mustard alkylating antineoplastic agent estramustine phosphate, used in the therapy of prostate cancer.

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