Penethamate hydriodide
Basic information
- CAS
7778-19-0- Standard SMILES
CCN(CC)CCOC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@H]2SC1(C)C.I- InChIKey
XWRCFDRXQPRCCO-FLQNVMKHSA-N- Molecular formula
- C22H32IN3O4S
- Average molar mass
- 561.5 g/mol
- Monoisotopic mass
- 561.11583
Names & identifiers
- Preferred name
- Penethamate hydriodide
- IUPAC
- 2-(diethylamino)ethyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydroiodide
Names & synonyms
Penethamate Hydriodide808-71-9BronchocillinAlivinEphicillin hydriodidePenethacillinBronchopenBroncopenEficillinEstopenLeocillinNeopenil
Show more names
Pulmaxil NNeo-PenilPulmo 500UNII-GA14AS9QOKGA14AS9QOKEINECS 212-367-6Benzylpenicillin beta-diethylaminoethyl ester hydriodideDiethylaminoethyl ester penicillin hydriodide
Database identifiers
- CAS
7778-19-0、808-71-9- PubChem CID
- 71796
- DTXSID
DTXSID701001537- ChEMBL
CHEMBL2105292- UNII
- GA14AS9QOK
- EC Number
- 212-367-6
Properties
Computed structural properties
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 646
Experimental & physicochemical properties
Animal DrugsPharmaceuticals -> UK Veterinary Medicines Directorate List
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 (66.7%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationPenethamate hydriodide: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- [2S-(2.alpha.,5.alpha.,6.beta.)]-, 2-(diethylamino)ethyl ester, monohydriodide: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)
Chemistry & industry
Pharmacology
ATC Code
QJ - Antiinfectives for systemic use
QJ - Antiinfectives for systemic use
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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