Basic information
- CAS
1181570-19-3- Standard SMILES
CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccc(O)cc3)C2SC1- InChIKey
BOEGTKLJZSQCCD-UHFFFAOYSA-N- Molecular formula
- C16H17N3O5S
- Average molar mass
- 363.4 g/mol
- Monoisotopic mass
- 363.08889182
Names & identifiers
- Preferred name
- 7-((2-Amino-2-(4-hydroxyphenyl)acetyl)amino)-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
- IUPAC
- 7-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Names & synonyms
1181570-19-37-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid7-((2-Amino-2-(4-hydroxyphenyl)acetyl)amino)-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acidRefChem:310031Cefamox7-[2-amino-2-(4-hydroxyphenyl)acetamido]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidp-HydroxycephalexineBidocefCHEMBL1555813SCHEMBL13698957DTXSID90860610EBC-13815
Show more names
NCGC00094609-01NCGC00094609-02AS-13773DB-051762EN300-235497437-(alpha-amino-4-hydroxyphenylacetamido)-3-methyl-ceph-3-em-4-carboxylic acid7-[2-Amino(4-hydroxyphenyl)acetamido]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Database identifiers
- CAS
1181570-19-3- PubChem CID
- 2610
- DTXSID
DTXSID90860610- ChEMBL
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 629
Related reactions
2 records
Compound notes
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