HCID124946

Leo 271 f

[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] N,N-bis(2-chloroethyl)carbamate

C23H29Cl2NO3438.4 g/molCAS 62899-40-5

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IDENTITY

结构与身份

标准SMILES: C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CCC2=O
InChIKey: AXWYROHIFVWHMR-UGTOYMOASA-N
分子式: C23H29Cl2NO3
平均分子量: 438.4 g/mol
单同位素质量: 437.1524492

COMPUTED

结构计算性质

已同步

XLogP: 4.4
极性表面积: 46.6 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 6
重原子: 29
形式电荷: 0
复杂度: 623

ALIASES

名称与别名

共 29 条

Estromustine62899-40-5Leo 271 f3-(((Bis(2-chloroethyl)amino)carbonyl)oxy)estra-1,3,5(10)-trien-17-oneLEO-271FDTXSID40978673LEO-2712081L03TMELS-2713-[[[Bis(2-chloroethyl)amino]carbonyl]oxy]estra-1,3,5(10)-trien-17-oneRefChem:137953DTXCID301405983estrone 17 beta-3-N-bis(2-chloroethyl)carbamate(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl bis(2-chloroethyl)carbamateEstra-1,3,5(10)-trien-17-one, 3-[[[bis(2-chloroethyl)amino]carbonyl]oxy]-[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] N,N-bis(2-chloroethyl)carbamateESTRA-1,3,5(10)-TRIEN-17-ONE, 3-(((BIS(2-CHLOROETHYL)AMINO)CARBONYL)OXY)-Estrone 17beta-3-N-bis(2-chloroethyl)carbamateorb1987089SCHEMBL29640704

REACTIONS

参与反应

1 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID22633

uspto-grants-2005_02

作为反应物

uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06849616B1

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