 Home > Encyclopedia > (6R,7R)-7-[(1-benzylpyridin-1-ium-4-yl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

(6R,7R)-7-[(1-benzylpyridin-1-ium-4-yl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

(6R,7R)-7-[(1-benzylpyridin-1-ium-4-yl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate structure

CAS No:
77527-71-0
Formula:
C22H21N7O3S2
Chemical Name:
(6R,7R)-7-[(1-benzylpyridin-1-ium-4-yl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Synonyms:
7-(1-benzylpyridinium-4-yl)amino-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)ceph-3-em-4-carboxylate;L 640876;L-640,876;L 640876;77527-71-0;(6R,7R)-7-((1-benzylpyridin-1-ium-4-yl)amino)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;CHEMBL143129;L-640876;L-640,876;7-(1-Benzylpyridinium-4-yl)amino-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)ceph-3-em-4-carboxylate;Pyridinium, 4-((2-carboxy-3-(((1-methyl-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-7-yl)amino)-1-(phenylmethyl)-, inner salt, (6R-trans)-

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(6R,7R)-7-[(1-benzylpyridin-1-ium-4-yl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Basic Attributes

Molecular Weight：

495.6 g/mol

Exact Mass：

495.11472990 g/mol

Characteristics

PSA：

171 Å²

Drug Information

MeSH Entry Terms：

7-(1-benzylpyridinium-4-yl)amino-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)ceph-3-em-4-carboxylate

Computed Properties

Molecular Weight:495.6
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:495.11472990
Monoisotopic Mass:495.11472990
Topological Polar Surface Area:171
Heavy Atom Count:34
Complexity:796
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (6R,7R)-7-[(1-benzylpyridin-1-ium-4-yl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Basic Attributes
Characteristics
Drug Information
Computed Properties

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