(2S,5R,6R)-3,3-Dimethyl-6-((R)-2-(3-(3-(methylsulfonyl)-2-oxoimidazolidine-1-carbonyl)ureido)-2-phenylacetamido)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid sodium salt
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![(2S,5R,6R)-3,3-Dimethyl-6-((R)-2-(3-(3-(methylsulfonyl)-2-oxoimidazolidine-1-carbonyl)ureido)-2-phenylacetamido)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid sodium salt](https://resource.bocsci.com/structure/59798-30-0.gif)
| Category | Antibiotics |
| Catalog number | BBF-03913 |
| CAS | 59798-30-0 |
| Molecular Weight | 604.59 |
| Molecular Formula | C22H25N6NaO9S2 |
| Purity | ≥95% |
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Description
An extended spectrum beta-lactam antibiotic.
Specification
| Related CAS | 756762-35-3 (free acid) |
| Synonyms | (2S,5R,6R)-3,3-Dimethyl-6-[[(2R)-2-[[[[[3-(methylsulfonyl)-2-oxo-1-imidazolidinyl]carbonyl]amino]carbonyl]amino]-2-phenylacetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid monosodium salt; 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-[[[[[[[3-(methylsulfonyl)-2-oxo-1-imidazolidinyl]carbonyl]amino]carbonyl]amino]phenylacetyl]amino]-7-oxo-, monosodium salt, [2S-[2α,5α,6β(S*)]]- |
| Storage | Store at 2-8°C |
| IUPAC Name | sodium;(2S,5R,6R)-3,3-dimethyl-6-[[(2R)-2-[(3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl)carbamoylamino]-2-phenylacetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate |
| Canonical SMILES | CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)NC(=O)N4CCN(C4=O)S(=O)(=O)C)C(=O)[O-])C.[Na+] |
| InChI | InChI=1S/C22H26N6O9S2.Na/c1-22(2)14(18(31)32)28-16(30)13(17(28)38-22)23-15(29)12(11-7-5-4-6-8-11)24-19(33)25-20(34)26-9-10-27(21(26)35)39(3,36)37;/h4-8,12-14,17H,9-10H2,1-3H3,(H,23,29)(H,31,32)(H2,24,25,33,34);/q;+1/p-1/t12-,13-,14+,17-;/m1./s1 |
| InChI Key | SDQBKOKICLGDOA-ZBJAFUORSA-M |
| Source | Synthetic |
Properties
| Appearance | White to Off-white Crystalline Powder |
| Antibiotic Activity Spectrum | Gram-positive bacteria |
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Bio Calculators
* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2
* Total Molecular Weight:
g/mol
Tip: Chemical formula is case sensitive. C22H30N4O √ c22h30n40 ╳
