Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C21H16N4O8S2
- Molecular weight
- 516.5 g/mol
- IUPAC name
- (6R,7R)-3-[(E)-2-(2,4-dinitrophenyl)ethenyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- SMILES
- C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CS3)C(=O)O)/C=C/C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]
- InChIKey
- LHNIIDJCEODSHA-OQRUQETBSA-N
- XLogP
- 2.2
- Polar surface area
- 232 Ų
- H-bond donors
- 2
- H-bond acceptors
- 10
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Molecule type
- Small molecule
via ChEMBL · EBI
Wikidata facts
- Subclass of
- chemical compound
- Mass
- 516.040955
Show 3 more facts
- chemical formula
- C₂₁H₁₆N₄O₈S₂
- isomeric SMILES
- C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CS3)C(=O)O)/C=C/C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]
- canonical SMILES
- C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)O)C=CC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]
Sources (2)
via Wikidata · CC0
Article · Deutsch
Nitrocefin ist ein Stoff aus der chemischen Gruppe der Cephalosporine, der seine Farbe bei der Spaltung durch β-Lactamasen von gelb nach rot verändert.
Abstract from DBpedia / Wikipedia · CC BY-SA