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Amoxicillin Sodium 500mg

CAT: 0628-A16407-500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0628-A16407-500Size:500 mg
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CAS Number
34642-77-8

Chemical Information

Amoxicillin Sodium

Amoxicillin sodium is an organic sodium salt that is the monosodium salt of amoxicillin. It contains an amoxicillin(1-).

CAS Number34642-77-8
PubChem CID23663126
IUPAC Namesodium (2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Molecular FormulaC16H18N3NaO5S
Molecular Weight387.4
Topological Polar Surface Area161
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity596
SMILES
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)[O-])C.[Na+]
InChI
InChI=1S/C16H19N3O5S.Na/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);/q;+1/p-1/t9-,10-,11+,14-;/m1./s1
InChIKey
BYHDFCISJXIVBV-YWUHCJSESA-M
Chemical Structure
2D Structure
2D structure of Amoxicillin Sodium
CAS: 34642-77-8
CID: 23663126
Formula: C16H18N3NaO5S
MW: 387.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight387.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass387.08648614
Monoisotopic Mass387.08648614
Topological Polar Surface Area161 Ų
Heavy Atom Count26
Formal Charge0
Complexity596
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes