雄甾-3-[(4-甲苯)磺酰]氧基-5酮

Androsterone tosylate

HCID 14056196CAS 10429-07-9

正在补全数据，通常 1 分钟内完成

子结构检索查找相似结构

基本信息

标准SMILES
Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)C(=O)CC[C@@H]43)C2)cc1
InChIKey
HNTMKSKJRZRWKS-MWLOVLLCSA-N
分子式
C26H36O4S
平均分子量
444.6 g/mol
单同位素质量
444.2334308

名称与标识

首选名称
Androsterone tosylate
IUPAC
[(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] 4-methylbenzenesulfonate
中文名
雄甾-3-[(4-甲苯)磺酰]氧基-5酮
英文名
Androstan-17-one,3-[[(4-methylphenyl)sulfonyl]oxy]-,(3,5)-
分子式
C26H36O4S
分子量
444.63

名称与别名

androsterone tosylate10429-07-9EC 600-553-3DTXSID601037404RefChem:558052DTXCID501521440600-553-33beta-Tosyloxy-5alpha-androstan-17-oneAndrostan-17-one,3-[[(4-methylphenyl)sulfonyl]oxy]-,(3,5)-[(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] 4-methylbenzenesulfonateRocuronium Bromide Impurity 32Rocuronium Impurity 15
展开更多名称
罗库溴铵杂质1罗库溴铵杂质12罗库溴铵杂质1266溴化罗库溴铵杂质32雄甾-3-[(4-甲苯)磺酰]氧基-5Α-酮雄甾-3-[(4-甲苯)磺酰]氧基-5?????酮RocuroniumImpurity15Rocuroniumimpurity1266(3S,5S,8R,9S,10S,13S,14S)-RocuroniumbromideImpurity13β-Tosyloxy-5α-androstan-17-one3β-(4-methylphenylsulfonyloxy)-5α-androstan-17-one(5S,10S)-10,13-dimethyl-17-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl4-methylbenzenesulfonate((3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl4-methylbenzenesulfonate
3beta-(4-methylphenylsulfonyloxy)-5alpha-androstan-17-oneSCHEMBL2435124doi:10.14272/HNTMKSKJRZRWKS-MWLOVLLCSA-N.13.beta.-4(-Methylbenzenesulfonyloxy)-5.alpha.-androstan-17-one(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxohexadecahydro-1H-cyclopenta[a]phenanthren-3-yl 4-methylbenzenesulfonate

数据库标识

CAS
10429-07-9
PubChem CID
14056196
EC Number
600-553-3
Nikkaji
J34.340D

性质

结构计算性质补全中

XLogP
5.7
极性表面积
68.8 Ų
氢键供体
0
氢键受体
4
可旋转键
3
重原子
31

物理化学性质

熔点
164 · 164-165 °C(Solv: benzene (71-43-2); cyclohexane (110-82-7))
沸点
568.5 · 568.5±50.0 °C(Predicted)
密度
1.18 g/cm3 · 1.18g/cm3 at 25℃
蒸气压
0 Pa · 0Pa at 25℃
形态
粉末
LogP
5.8 at · 5.8 at 35℃ and pH7

安全与法规

危害信息

Regulatory InformationStatus: Cease Manufacture Update: 07-03-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/7679

法规信息

Regulatory InformationStatus: Cease Manufacture Update: 07-03-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/7679

安全数据

REACH 注册登记
Inactive

相关反应

1 条
新建反应记录

关联笔记

加载中…