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)
Properties
- Molecular formula
- C16H20N3NaO6S
- Molar mass
- 405.40 g/mol
- Exact mass
- 405.0971 Da
- logP
- -4.47Crippen estimate
- Polar surface area
- 164.8 Ų
- H-bond donors / acceptors
- 5 / 8
- Rotatable bonds
- 6
Hazards
Danger
- H302 Harmful if swallowed100% of notifiers
- H341 Suspected of causing genetic defects100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P264, P270, P280, P301+P317, P318, P330, P405, P501
Identifiers
CAS number
68728-47-2SMILES
CC1(C(NC(S1)C(C(=O)O)NC(=O)C(C2=CC=C(C=C2)O)N)C(=O)[O-])C.[Na+]InChIKey
OWFQIGGKWCUTRP-UHFFFAOYSA-MInChI
InChI=1S/C16H21N3O6S.Na/c1-16(2)11(15(24)25)19-13(26-16)10(14(22)23)18-12(21)9(17)7-3-5-8(20)6-4-7;/h3-6,9-11,13,19-20H,17H2,1-2H3,(H,18,21)(H,22,23)(H,24,25);/q;+1/p-1Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 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)
Similar compounds
Amoxicillin sodium34642-77-861 % similar
Amoxicillin piperazine-2,5-dione94659-47-958 % similar
Amoxicillin dimer73590-06-456 % similar
Amoxicillin26787-78-054 % similar
Amoxicillin trihydrate61336-70-751 % similar
(2R)-2-(4-Hydroxyphenyl)glycyl-N-[(2S,5R,6R)-2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl]-(2R)-2-(4-hydroxyphenyl)glycinamide188112-75-650 % similar
Ampicillin sodium69-52-348 % similar
Ampicillin69-53-444 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.