Basic information
- CAS
1418224-75-5- Standard SMILES
O=C(CBr)N[C@@H]1C(=O)N2C(C(=O)O)=C(CO)CS[C@H]12- InChIKey
QYJAMNGBFWEWGW-HZGVNTEJSA-N- Molecular formula
- C10H11BrN2O5S
- Average molar mass
- 351.18 g/mol
- Monoisotopic mass
- 349.95721
Names & identifiers
- Preferred name
- Cefathiamidine impurity
- IUPAC
- (6R,7R)-7-[(2-bromoacetyl)amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- English name
- Cefathiamidine Impurity 4
- Molecular formula
- C10H11BrN2O5S
- Molecular weight
- 351.17
Names & synonyms
CEFATHIAMIDINE IMPURITY1418224-75-5(6R,7R)-7-[(2-bromoacetyl)amino]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[(2-bromoacetyl)amino]-3-(hydroxymethyl)-8-oxo-, (6R,7R)-Des-(E)-N,N'-diisopropylcarbamimidothioic acid 2-bromo desacetate hydroxy CefathiamidineCefathiamidine Impurity MCEFATHIAMIDINEIMPURITYSCHEMBL30761794L9P3823526(6R,7R)-7-(2-bromoacetamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid7-BCA,Bromine Cefathiamidine Impurity
Database identifiers
- CAS
1418224-75-5- PubChem CID
- 145709504
- UNII
- L9P3823526
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 481
Physicochemical properties
- Boiling point
- 770.4 · 770.4±60.0 °C(Predicted)
- Density
- 1.96 · 1.96±0.1 g/cm3(Predicted)
- pka
- 2.76 · 2.76±0.50(Predicted)
Chemistry & industry
Applications
UsesDes-(E)-N,N''-diisopropylcarbamimidothioic acid 2-bromo desacetate hydroxy Cefathiamidine is an impurity of Cefathiamidine (C237550), an antibacterial agent that exhibits a broad spectrum of bactericidal activity against gram-positive bacteria.
Suppliers7 total
广州蓝宁生物科技有限公司15813355568 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
BOC Sciences16314854226 · [email protected]
湖北鑫红利化工有限公司027-027-59106151 15172325309 · [email protected]
卡托研究化学公司+86-020-81960175-877 4000-868-328;4000-868-328 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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