Relebactam 1174018-99-5 99
Relebactam Basic information
Product Name: Relebactam
Synonyms: Sulfuric acid Mono-[7-oxo-2-(piperidin-4-ylcarbaMoyl)-1,6-diaza-bicyclo[3.2.1]oct-6-yl] ester;Sulfuric acid mono[(1R,2S,5R)-7-oxo-2-[(4-piperidinylamino)carbonyl]-1,6-diazabicyclo[3.2.1]oct-6-yl] ester;MK-7655(Relebactam);RELEBACTAM;(2S,5R)-sulfuric acid mono{[(4-aminopiperidin-4-yl)carbonyl]-7-oxo-1,6-diazabicyclo[3.2.1]oct-6-yl}ester;(2S,5R)-7-oxo-2-(piperidin-1-ium-4-ylcarbamoyl)-1,6-diazabicyclo[3.2.1]octan-6-yl sulfate;MK7655;Relebactam(MK-7655)
CAS: 1174018-99-5
MF: C12H20N4O6S
MW: 348.38
EINECS:
Product Categories:
Mol File: 1174018-99-5.mol
Relebactam Chemical Properties
Melting point >252°C (dec.)
density 1.59
storage temp. Hygroscopic, -20°C Freezer, Under inert atmosphere
solubility DMSO (Slightly), Water (Slightly)
pka -4.59±0.18(Predicted)
form Solid
color Off-White to Light Yellow
Stability: Hygroscopic
InChI InChI=1S/C12H20N4O6S/c17-11(14-8-3-5-13-6-4-8)10-2-1-9-7-15(10)12(18)16(9)22-23(19,20)21/h8-10,13H,1-7H2,(H,14,17)(H,19,20,21)/t9-,10+/m1/s1
InChIKey SMOBCLHAZXOKDQ-ZJUUUORDSA-N
SMILES S(O)(ON1C(=O)[N@@]2C[C@@]1([H])CC[C@H]2C(NC1CCNCC1)=O)(=O)=O
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