Rocuronium Bromide Impurity 31

HCID 54054638CAS 119302-22-6

基本情報

標準SMILES: CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H](N3CCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CCOCC1
InChIKey: LVJSVTWBHUSYSZ-OBIZLECESA-N
分子式: C31H50N2O5
平均分子量: 530.7 g/mol
単同位体質量: 530.3719727

名称と識別子

優先名称: Rocuronium Bromide Impurity 31
IUPAC: [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-10,13-dimethyl-2-morpholin-4-yl-16-pyrrolidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
英語名: Androstane-3,17-diol,2-(4-morpholinyl)-16-(1-pyrrolidinyl)
分子式: C31H50N2O5
分子量: 530.74

名称と別名

Rocuronium Bromide Impurity 31119302-22-6Desallyl Rocuronium Diacetate[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-10,13-dimethyl-2-morpholin-4-yl-16-pyrrolidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetateAndrostane-3,17-diol, 2-(4-morpholinyl)-16-(1-pyrrolidinyl)-, 3,17-diacetate, (2beta,3alpha,5alpha,16beta,17beta)-Rocuronium Bromide Impurity 54SCHEMBL3851529LVJSVTWBHUSYSZ-OBIZLECESA-NDTXSID601115993(2beta,3alpha,5alpha,16beta,17beta)-2-(4-morpholinyl)-16-(1-pyrrolidinyl)-androstane-3,17-diol diacetate(2beta,3alpha,5alpha,16beta,17beta)-2-(4-morpholinyl)-16-(1pyrrolidinyl)-androstane-3,17-diol diacetate(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-10,13-dimethyl-2-morpholino-16-(pyrrolidin-1-yl)hexadecahydro-1H-cyclopenta[a]phenanthrene-3,17-diyl diacetate

名称をさらに表示

Rocuronium Bromide Impurity 45Rocuronium Bromide Impurity 28Androstane-3,17-diol,2-(4-morpholinyl)-16-(1-pyrrolidinyl)(2β,3α,5α,16β,17β)-2-(4-morpholinyl)-16-(1-pyrrolidinyl)-3,17-bis(acetyloxyoxy)androstaneAndrostane-3,17-diol, 2-(4-morpholinyl)-16-(1-pyrrolidinyl)-, 3,17-diacetate, (2β,3α,5α,16β,17β)-

2-(Morpholin-4-yl)-16-(pyrrolidin-1-yl)-2beta,3alpha,5alpha,16beta,17beta-androstane-3,17-diyl diacetateAndrostane-3,17-diol, 2-(4-morpholinyl)-16-(1-pyrrolidinyl)-, 3,17-diacetate, (2I(2),3I+/-,5I+/-,16I(2),17I(2))-

データベース識別子

CAS: 119302-22-6
PubChem CID: 54054638
DTXSID: DTXSID601115993

物性

構造計算による物性

XLogP: 4.9
極性表面積: 68.3 Å²
水素結合供与体数: 0
水素結合受容体数: 7
回転可能結合数: 6
重原子数: 38
形式電荷: 0
複雑度: 901

物理化学的性質

沸点: 583.9 · 583.9±50.0 °C(Predicted)
比重(密度): 1.17 · 1.17±0.1 g/cm3(Predicted)
酸解離定数(Pka): 9.63 · 9.63±0.20(Predicted)

化学と産業

上流・下流製品情報

下流製品

(2b,3a,5a,16b,17b)-17-Acetoxy-3-hydroxy-2-(4-morpholinyl)-16-(1-pyrrolidinyl)androstane

サプライヤー22 社

济南百隆化学有限公司[email protected] · [email protected]

湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]

Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]

成都蓝蜻蜓生物技术有限公司028-87856149; 15208320722 · [email protected]

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