Suncillin
Basic information
- CAS
22164-94-9- Standard SMILES
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NS(=O)(=O)O)c3ccccc3)C(=O)N2[C@H]1C(=O)O- InChIKey
OIECDSKSPRTZHG-NJBDSQKTSA-N- Molecular formula
- C16H19N3O7S2
- Average molar mass
- 429.5 g/mol
- Monoisotopic mass
- 429.0664423
Overview
Suncillin is a small molecule drug. The usage of the INN stem '-cillin' in the name indicates that Suncillin is a antibiotic, 6-aminopenicillanic acid derivative. Suncillin has a monoisotopic molecular weight of 429.07 Da.
Names & identifiers
- Preferred name
- Suncillin
- IUPAC
- (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(2R)-2-phenyl-2-(sulfoamino)acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- English name
- Suncillin
- Molecular formula
- C16H19N3O7S2
- Molecular weight
- 429.47
Names & synonyms
Suncillin22164-94-9suncilinasuncillineD6XHM6R84SDTXSID801043223suncillinum6-(alpha-Sulfoaminophenyl)acetamidopenicillanic acidRefChem:186790DTXCID101525921Suncillin [INN](2S,5R,6R)-3,3-Dimethyl-7-oxo-6-((R)-2-phenyl-2-(sulfoamino)acetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Show more names
Suncillin USP/EP/BP(6R)-6-[[(2R)-2-Phenyl-2-sulfoaminoacetyl]amino]penicillanic acid4-Thia-1-azabicyclo(3 2 0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenyl-2-(sulfoamino)acetamido)-, D-4-Thia-1-azabicyclo(3 2 0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((2R)-phenyl(sulfoamino)acetyl)amino)-, (2S,5R,6R)-4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[[(2R)-2-phenyl-2-(sulfoamino)acetyl]amino]-, (2S,5R,6R)-4-Thia-1-azabicyclo(3 2 0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenyl(sulfoamino)acetyl)amino)-, (2S-(2 alpha ,5 alpha ,6 beta (S*)))-
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(2R)-2-phenyl-2-(sulfoamino)acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidUNII-D6XHM6R84S6-(D-alpha-Sulfoaminophenylacetamido)penicillanic acidorb2815103SCHEMBL2110726CHEMBL2111139BL-P1462T202608
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 187 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 774
Physicochemical properties
- Density
- 1.654 · 1.654±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 0.674 · 0.674±0.50(predicted)
- FDA UNII
- 6 XHM6R84S · D6XHM6R84S
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationSubstances that inhibit the growth or reproduction of BACTERIA.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…