Basic information
- CAS
39878-70-1- Standard SMILES
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)OC1OC(=O)c2ccccc21.Cl- InChIKey
PAZSYTCTHYSIAO-WVFSJLEKSA-N- Molecular formula
- C24H24ClN3O6S
- Average molar mass
- 518 g/mol
- Monoisotopic mass
- 517.1074344
Overview
See also: Ampicillin (has active moiety); Talampicillin (broader).
Names & identifiers
- Preferred name
- Talampicillin Hydrochloride
- IUPAC
- (3-oxo-1H-2-benzofuran-1-yl) (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydrochloride
Names & synonyms
talampicillin hydrochloride39878-70-1AseocillinBRL 8988 HYDROCHLORIDEBRL-8988 Hydrochloride4C5O3X072ICHEBI:34993DTXCID8025468RefChem:932523Hydrochloride, Talampicillin3-Oxo-1,3-dihydroisobenzofuran-1-yl (2S,5R,6R)-6-((2R)-2-amino-2-phenylacetylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate monohydrochloride4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((2R)-2-amino-2-phenylacetyl)amino)-3,3-dimethyl-7-oxo-, 1,3-dihydro-3-oxo-1-isobenzofuranyl ester, hydrochloride (1:1), (2S,5R,6R)-
Show more names
630-972-7DTXSID0045468TalpenYamacillinTalampicillin HCl(2S,5R,6R)-6-((R)-2-Amino-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid ester with 3-hydroxyphthalide, monohydrochloride(2S,5R,6R)-3-Oxo-1,3-dihydroisobenzofuran-1-yl 6-((R)-2-amino-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrochloride(3-oxo-1H-2-benzofuran-1-yl) (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydrochloride
Properties
Computed structural properties
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 875
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 (100%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Other Safety Information
IMAP assessments - 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(aminophenylacetyl)amino]-3,3-dimethyl-7-oxo-, 1,3-dihydro-3-oxo-1-isobenzofuranyl ester, monohydrochloride, [2S-[2.alpha.,5.alpha.,6.beta.(S*)]]-: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationSubstances that inhibit the growth or reproduction of BACTERIA.
Related reactions
0 records
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Compound notes
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