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CAT: 1299-RM-L012400-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-L012400-01Size:10 mg
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CAS Number
64952-97-2
Synonyms
5-Oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[ (2R) -carboxy (4-hydroxyphenyl) acetyl]amino]-7-methoxy-3-[[ (1-methyl-1H_x005F_x0002_tetrazol-5-yl) thio]methyl]-8-oxo-, (6R,7R) - (9CI) ; 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-, [6R-[6α,7α,7 (R*) ]]-; (6R,7R) -7-[[ (2R) -2-Carboxy-2- (4-hydroxyphenyl) acetyl]amino]-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; Lamoxactam; Moxalactam; Moxam; Oxa-cephem; (6R,7R) -7- ((R) -2-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
Molecular Formula
C20H20N6O9S
Molecular Weight
520.47
Target Alternative Name
Rm-L012400
Product Name Synonym
5-Oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[[ (2R) -carboxy (4-hydroxyphenyl) acetyl]amino]-7-methoxy-3-[[ (1-methyl-1H_x0002_tetrazol-5-yl) thio]methyl]-8-oxo-, (6R,7R) - (9CI) ; 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-, [6R-[6α,7α,7 (R*) ]]-; (6R,7R) -7-[[ (2R) -2-Carboxy-2- (4-hydroxyphenyl) acetyl]amino]-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; Lamoxactam; Moxalactam; Moxam; Oxa-cephem; (6R,7R) -7- ((R) -2-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

Chemical Information

Moxalactam

Moxalactam is a broad-spectrum oxacephem antibiotic in which the oxazine ring is substituted with a tetrazolylthiomethyl group and the azetidinone ring carries methoxy and 2-carboxy-2-(4-hydroxyphenyl)acetamido substituents. It has a role as an antibacterial drug. It is a cephalosporin and an oxacephem.

CAS Number64952-97-2
PubChem CID47499
IUPAC Name(6R,7R)-7-[[2-carboxy-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-carboxylic acid
Molecular FormulaC20H20N6O9S
Molecular Weight520.5
XLogP-0.6
Topological Polar Surface Area232
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Heavy Atom Count36
Formal Charge0
Complexity958
SMILES
CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)C(C4=CC=C(C=C4)O)C(=O)O)OC)OC2)C(=O)O
InChI
InChI=1S/C20H20N6O9S/c1-25-19(22-23-24-25)36-8-10-7-35-18-20(34-2,17(33)26(18)13(10)16(31)32)21-14(28)12(15(29)30)9-3-5-11(27)6-4-9/h3-6,12,18,27H,7-8H2,1-2H3,(H,21,28)(H,29,30)(H,31,32)/t12?,18-,20+/m1/s1
InChIKey
JWCSIUVGFCSJCK-CAVRMKNVSA-N
Chemical Structure
2D Structure
2D structure of Moxalactam
CAS: 64952-97-2
CID: 47499
Formula: C20H20N6O9S
MW: 520.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight520.5
XLogP3-0.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Exact Mass520.10124741
Monoisotopic Mass520.10124741
Topological Polar Surface Area232 Ų
Heavy Atom Count36
Formal Charge0
Complexity958
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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