Basic information
- CAS
31828-50-9- Standard SMILES
CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)C3=CCC=CC3)[C@H]2SC1.O.O- InChIKey
HBKDHIDYMXXJLI-OEDJVVDHSA-N- Molecular formula
- C16H23N3O6S
- Average molar mass
- 385.4 g/mol
- Monoisotopic mass
- 385.13075664
Overview
Cephradine Dihydrate is the dihydrate form of cephradine, a beta-lactam, first-generation cephalosporin antibiotic with bactericidal activity. Cephradine dihydrate binds to and inactivates penicillin-binding proteins (PBP) located on the inner membrane of the bacterial cell wall. PBPs participate in the terminal stages of assembling the bacterial cell wall, and in reshaping the cell wall during cell division. Inactivation of PBPs interferes with the cross-linkage of peptidoglycan chains necessary for bacterial cell wall strength and rigidity. This results in the weakening of the bacterial cell wall and causes cell lysis.
Names & identifiers
- Preferred name
- Cephradine Dihydrate
- IUPAC
- (6R,7R)-7-[[(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;dihydrate
- English name
- CEPHRADINE (200 MG)
- Molecular formula
- C16H23N3O6S
- Molecular weight
- 0
Names & synonyms
Cephradine dihydrate31828-50-956PPJ9MMPESQ 22022DTXSID90185698RefChem:124434DTXCID30108189Cefradin hydrate(6R,7R)-7-[[(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;dihydrateVelosef hydrateSefril hydrate58456-86-3
Show more names
SQ-22022CEPHRADINE (200 MG)Cephradine (1102805)(6R,7R)-7-[[2-amino-2-(1-cyclohexa-1,4-dienyl)acetyl]amino]-3-methyl-8 -oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid dihydrate
UNII-56PPJ9MMPECEFRADINE DIHYDRATESCHEMBL719332orb1740026CEPHRADINE DIHYDRATE [MI]DTXSID50974005HBKDHIDYMXXJLI-OEDJVVDHSA-NAKOS026749823
Database identifiers
- CAS
31828-50-9、58456-86-3- PubChem CID
- 65476
Properties
Computed structural properties
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 697
Physicochemical properties
- FDA UNII
- 56 PPJ9MMPE · 56PPJ9MMPE
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H315 (40%): Causes skin irritation [Warning Skin corrosion/irritation]
P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (40%)
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationSubstances that inhibit the growth or reproduction of BACTERIA.
Suppliers1 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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