Oxybicillin
Basic information
- CAS
3841-12-1- Standard SMILES
CC1(C)SC2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.CC1(C)SC2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.Oc1ccccc1CNCCNCc1ccccc1O- InChIKey
QDCQBITXGBDDCP-WYOCMTACSA-N- Molecular formula
- C48H56N6O10S2
- Average molar mass
- 941.1 g/mol
- Monoisotopic mass
- 940.34993435
Names & identifiers
- Preferred name
- Oxybicillin
- IUPAC
- bis((2S,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid);2-[[2-[(2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol
Names & synonyms
OxybicillinDTXSID201917473841-12-1RefChem:367500DTXCID601142384-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-, compd. with alpha,alpha'-(ethylenediimino)di-o-cresol(2S,6R)-3,3-Dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid--2,2'-[ethane-1,2-diylbis(azanediylmethylene)]diphenol (2/1)
Database identifiers
- CAS
3841-12-1- PubChem CID
- 199208
- DTXSID
DTXSID20191747
Properties
Computed structural properties
- Topological polar surface area
- 289 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 15
- Heavy atoms
- 66
- Formal charge
- 0
- Complexity
- 767
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…