Ampicillin benzathine
Basic information
- CAS
33276-75-4- Standard SMILES
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O.CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O.c1ccc(CNCCNCc2ccccc2)cc1- InChIKey
RHKWJSNGCNASTF-PHGYPNQBSA-N- Molecular formula
- C48H58N8O8S2
- Average molar mass
- 939.2 g/mol
- Monoisotopic mass
- 938.38190319
Names & identifiers
- Preferred name
- Ampicillin benzathine
- IUPAC
- bis((2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid);N,N'-dibenzylethane-1,2-diamine
- English name
- N,N'-dibenzylethylenediammonio [2S-[2alpha,5alpha,6beta(S*)]]-bis[6-[(aminophenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate]
- Molecular formula
- C32H39N5O4S
- Molecular weight
- 589.76
Names & synonyms
Ampicillin benzathineBenzathine ampicillin33276-75-4Durapen (TN)UNII-E1TD7AM884E1TD7AM884Ampicillin N,N'-dibenzylethylenediamine saltEINECS 251-438-6AMPICILLIN BENZATHINE [WHO-DD]4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((2R)-aminophenylacetyl)amino)-3,3-dimethyl-7-oxo-, (2S,5R,6R)-, compd with N,N'-bis(phenylmethyl)-1,2-ethanediamine (2:1)1,2-Ethanediamine, N,N'-bis(phenylmethyl)-, bis((2S-(2alpha,5alpha,6beta(S*)))-6-((aminophenylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate)4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(2-amino-2-phenylacetamido)-3,3-dimethyl-7-oxo-, compd with N,N'-dibenzylethylenediamine (2:1), D-(-)-
Show more names
AmpicillinbenzathinN,N'-dibenzylethylenediammonio [2S-[2alpha,5alpha,6beta(S*)]]-bis[6-[(aminophenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate]N,N'-Dibenzylethylenediammonio (2S-(2alpha,5alpha,6beta(S*)))-bis(6-((aminophenylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate)
Properties
Computed structural properties
- Topological polar surface area
- 300 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 15
- Heavy atoms
- 66
- Formal charge
- 0
- Complexity
- 733
Physicochemical properties
- Melting point
- 145 °C · >145°C (dec.)
- storage temp.
- Hygroscopic, Refrigerator, under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly, Heated, Sonicated)
- form
- Solid
- color
- White to Off-White
- Stability
- Hygroscopic
- FDA UNII
- 1 TD7AM884 · E1TD7AM884
- Symbol(GHS)
- 8 · GHS08,GHS07
- Signal word
- Danger
- Hazard statements
- 317 · H317-H334
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P261-P285-P304+P341-P342+P311-P501
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS07
- Hazard statements
- H317-H334
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P261-P285-P304+P341-P342+P311-P501
Chemistry & industry
Applications
UsesBenzathine Ampicillin is an impurity of Ampiicillin(A634300) which is an orally active, semi-synthetic antibiotic; structurally related to penicillin. Antibacterial.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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