Sodium Morrhuate structure

Sodium Morrhuate

disodium;7-[[2-carboxylato-2-(4-hydroxyphenyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Also Known As: latamoxef sodium|Moxam|Moxalactam sodium salt|moxalactam|Natrii morrhuas|Disodium latamoxef|Morrhuate sodium|MOXALACTAM DISODIUM|morruato de sodio|Morrhuate, Sodium|Sodium, Morrhuate|Shionogi 6059S|Morrhuate de sodium|Antibiotic 6059-S|SODIUM MORRHUATE|Morrhuate sodium (USP)|Moxalactam disodium [USAN]|RefChem:183989|AC1L2I6R|652U49DZTP|CTK8G1186|EINECS 265-288-4|Moxalactam disodium [USAN:USP]|LY 127935|6059S|6059-S|Moxalactam sodium salt, analytical standard|SW220105-1|Moxalactam Sodium Salt(Mixtureofdiastereomers)|N-((6R,7R)-2-Carboxy-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-oxa-1-azabicyclo(4.2.0)oct-2-en-7-yl)-2-(p-hydroxyphenyl)malonamic acid disodium salt|5-Oxa-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((carboxy(4-hydroxyphenyl)acetyl)amino)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, disodium salt|5-Oxa-1-azabicyclo(4.2.O)oct-2-ene-2-carboxylic acid, 7-((carboxy(4-hydroxyphenyl)acetyl)amino)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, disodium salt|5-Oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[carboxy(4-hydroxyphenyl)acetyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, disodium salt|6(R),7(R)-7-<2(R)-carboxy-2-(4-hydroxyphenyl)acetamido>-7-methoxy-3-<<(1-methyl-1H-tetrazol-5-yl)thio>-methyl>-8-oxo-5-oxa-1-azabicyclo<4.2.0>oct-2-ene-2-carboxylic acid disodium salt|6(R),7(R)-7-[2(R)-carboxy-2-(4-hydroxyphenyl)acetamido]-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)thio]-methyl}-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid disodium salt|7-[[Carboxy(4-hydroxyphenyl)acetyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-oxa-1-azabicyclo[4.2.o]oct-2-ene-2-carboxylic acid, disodium salt

CAS: 64953-12-4
Molecular Formula C20H18N6Na2O9S
Molecular Weight 564.0651 g/mol
LogP -9.79
Topological Polar Surface Area 211.96 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 14
Rotatable Bonds 9
Exact Mass 564.0651
Heavy Atoms 38
Complexity 1273.9

Chemical Identifiers

CAS Number 64953-12-4
SMILES CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)C(C4=CC=C(C=C4)O)C(=O)[O-])OC)OC2)C(=O)[O-].[Na+].[Na+]

Product Overview

Sodium Morrhuate (CAS 64953-12-4), with molecular formula C20H18N6Na2O9S and molecular weight 564.0651 g/mol. IUPAC: disodium;7-[[2-carboxylato-2-(4-hydroxyphenyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.

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