Basic information
- CAS
96688-41-4- Standard SMILES
CC1(C)S[C@H]([C@H](NC(=O)[C@H](NC(=O)N2CCNC2=O)c2ccccc2)C(=O)O)N[C@H]1C(=O)O- InChIKey
ZKJMMUMQDOOITG-UKTARXLSSA-N- Molecular formula
- C20H25N5O7S
- Average molar mass
- 479.5 g/mol
Names & identifiers
- Preferred name
- (2R,4S)-2-[(R)-carboxy-[[(2R)-2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
- IUPAC
- (2R,4S)-2-[(R)-carboxy-[[(2R)-2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
- English name
- Azlocillin Opern-Ring Impurity
- Molecular formula
- C20H25N5O7S
- Molecular weight
- 479.51
Names & synonyms
59HAbamectin Impurity 12Azlocillin Open-Ring ImpurityAzlocillin Opern-Ring ImpurityAloxicillin ring opening impurity2-Thiazolidineacetic acid, 4-carboxy-5,5-dimethyl-α-[[[[(2-oxo-1-imidazolidinyl)carbonyl]amino]phenylacetyl]amino]-, [2R-[2α[R*(R*)],4β]]- (9CI)
Database identifiers
- CAS
96688-41-4
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 202 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 817
Physicochemical properties
- Density
- 1.44 · 1.440±0.06 g/cm3(Predicted)
- pka
- 1.94 · 1.94±0.60(Predicted)
Chemistry & industry
Suppliers5 total
深圳鼎邦化学品有限公司15616500668 · [email protected]
广州蓝宁生物科技有限公司15813355568 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
广州珑莹生物科技有限公司15975567350
广州牌牌生物科技有限公司+86-13602409664 +86-17788709170 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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