 Home > Encyclopedia > (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[(1-methylpyridin-1-ium-2-yl)methylsulfanyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

(5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[(1-methylpyridin-1-ium-2-yl)methylsulfanyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

(5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[(1-methylpyridin-1-ium-2-yl)methylsulfanyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate structure

CAS No:
91615-54-2
Formula:
C16H18N2O4S
Chemical Name:
(5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[(1-methylpyridin-1-ium-2-yl)methylsulfanyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
Synonyms:
3-((N-methylpyridinium)-2-yl-methylthio)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylate;BMY 25174;BMY-25174;pyridinium, 2-(((2-carboxy-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)thio)methyl)-1-methyl-, hydroxide, inner salt, (5R-(5.alpha.,6.alpha.(R*)))-;Bmy-25174;UNII-WZ0S8GB09V;WZ0S8GB09V;91615-54-2;Bmy 25174;DTXSID60919629;Q27293075;3-((N-Methylpyridinium)-2-yl-methylthio)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylate;6-(1-Hydroxyethyl)-3-{[(1-methylpyridin-1-ium-2-yl)methyl]sulfanyl}-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;Pyridinium, 2-(((2-carboxy-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)thio)methyl)-1-methyl-, hydroxide, inner salt, (5R-(5.alpha.,6.alpha.(R*)))-;Pyridinium, 2-(((2-carboxy-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)thio)methyl)-1-methyl-, hydroxide, inner salt, (5R-(5alpha,6alpha(R*)))-
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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(5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[(1-methylpyridin-1-ium-2-yl)methylsulfanyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Basic Attributes

Molecular Weight：

334.4 g/mol

Exact Mass：

334.09872823 g/mol

UNII：

WZ0S8GB09V

Characteristics

PSA：

110 Å²

Drug Information

MeSH Entry Terms：

3-((N-methylpyridinium)-2-yl-methylthio)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylate

Computed Properties

Molecular Weight:334.4
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:334.09872823
Monoisotopic Mass:334.09872823
Topological Polar Surface Area:110
Heavy Atom Count:23
Complexity:545
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[(1-methylpyridin-1-ium-2-yl)methylsulfanyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

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