Formula |
C21H21N5O5S2 |
IUPAC Name |
(6r,7r)-7-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-8-oxo-3-[(6-oxo-1h-pyridazin-3-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
Molecular Mass |
487.552 g·mol−1 |
Heat of Formation |
-392.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.49 ± 1.08 D |
Volume |
541.65 Å 3 |
Surface Area |
454.33 Å 2 |
HOMO Energy |
-8.90 ± 0.55 eV |
LUMO Energy |
-1.11 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (6r,7r)-7-[2-[2-(aminomethyl)phenyl]ethanoylamino]-8-oxo-3-[(6-oxo-1h-pyridazin-3-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- (6r,7r)-7-[[2-[2-(aminomethyl)phenyl]-1-oxoethyl]amino]-8-oxo-3-[[(6-oxo-1h-pyridazin-3-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- (6r,7r)-7-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-8-keto-3-[[(6-keto-1h-pyridazin-3-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-(aminomethyl)phenyl)acetyl)amino)-3-(((1,6-dihydro-6-oxo-3-pyridazinyl)thio)methyl)-8-oxo-, (6r-trans)-
- 7-(o-aminomethylphenylacetamido)-3-(6-hydroxypyridazin-3-ylthiomethyl)-3-cephem-4-carboxylic acid
- bb-s 150
- bb-s-150
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CAS Number(s) |
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InChIKey |
QZKZPFZWBZGQKC-YLJYHZDGSA-N |
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Links |
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Elements |
H
S
C
O
N
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