CID 178255641
Basic information
- CAS
68728-47-2- Standard SMILES
CC1(C)SC(C(NC(=O)C(N)c2ccc(O)cc2)C(=O)O)NC1C(=O)O.[HH].[Na]- InChIKey
XNFSJVIKFNMYGV-UHFFFAOYSA-N- Molecular formula
- C16H23N3NaO6S
- Average molar mass
- 408.4 g/mol
- Monoisotopic mass
- 408.12052592
Names & identifiers
- Preferred name
- CID 178255641
- English name
- Amoxicillin Related Compound D (50 mg) ((4S)-2-{[(R)-2-amino-2-(4-hydroxyphenyl)acetamido](carboxy)methyl}-5,5-dimethylthiazolidine-4-carboxylic acid, monosodium salt)
- Molecular formula
- C16H21N3O6S.Na
- Molecular weight
- 406.41
Names & synonyms
68728-47-2F988691AMoxicillin Related CoMpound DAmoxicillin Impurity 44OWFQIGGKWCUTRP-UHFFFAOYSA-MAmoxicillin Trihydrate-Impurity D(4S)-2-[[[(2R)-2-Amino-2-(4-hydroxyAmoxicillin Impurity 4（EP Impurity D）Amoxicillin EP Impurity D Sodium saltPenicilloic Acids of Amoxicillin Sodium SaltAmoxicillin Related Compound D as Sodium SaltAmoxicillin impurity 3/Amoxicillin EP Impurity D
Database identifiers
- CAS
68728-47-2- PubChem CID
- 178255641
- EC Number
- 641-835-6
Properties
Computed structural properties
- Topological polar surface area
- 187 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 564
Physicochemical properties
- storage temp.
- -10 to · -10 to -25°C
- form
- powder
- Appearance
- White to off-white Solid
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- HS Code
- 2934990002 · 2934990002
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P270, P280, P301+P317, P318, P330, P405, 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.
Safety data
- hs_code
- 2934990002
Chemistry & industry
Applications
UsesAmoxicillin (A634235) impurity, a semi-synthetic antibiotic related to Penicillin. Antibacterial.
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Related reactions
0 records
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Compound notes
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