HCID57389355

(2S,5R)-6-(Benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid

(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid

C14H16N2O4276.29 g/molCAS 1174020-25-7

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: O=C(O)[C@@H]1CC[C@@H]2CN1C(=O)N2OCc1ccccc1
InChIKey: UMHGLONVYIYIOU-NEPJUHHUSA-N
分子式: C14H16N2O4
平均分子量: 276.29 g/mol
单同位素质量: 276.111007

COMPUTED

结构计算性质

已同步

XLogP: 1.2
极性表面积: 70.1 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 4
重原子: 20
形式电荷: 0
复杂度: 395

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

ALIASES

名称与别名

共 37 条

1174020-25-7(2S,5R)-6-(benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid(2S,5R)-6-(Benzyloxy)-7-oxo-1,6-diazabicyclo(3.2.1)octane-2-carboxylic acidRefChem:399038882-067-3MFCD28502389(1R,2S,5R)-6-(Benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid1,6-Diazabicyclo[3.2.1]octane-2-carboxylic acid, 7-oxo-6-(phenylmethoxy)-, (1R,2S,5R)-(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid396731-12-7Avibactam Impurity 43Avibactam Impurity 99M3P8C626EQSCHEMBL1980962SCHEMBL16611440EX-A2293DUMHGLONVYIYIOU-NEPJUHHUSA-NCS-M3718AKOS030628494(1R,2S,5R)-6-benzyloxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid

REACTIONS