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Ampicillin sodium salt

CAT: 0063-23337642-100gSize: 100 gDry Ice: NoHazardous: No
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CAT#:0063-23337642-100gSize:100 g
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CAS Number
69-52-3
Molecular Formula
C16H18N3NaO4S
Molecular Weight
371.39

Chemical Information

Ampicillin Sodium

Ampicillin sodium is an organic sodium salt. It contains an ampicillin(1-).

CAS Number69-52-3
PubChem CID23663979
IUPAC Namesodium (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Molecular FormulaC16H18N3NaO4S
Molecular Weight371.4
Topological Polar Surface Area141
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity568
SMILES
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)[O-])C.[Na+]
InChI
InChI=1S/C16H19N3O4S.Na/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8;/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23);/q;+1/p-1/t9-,10-,11+,14-;/m1./s1
InChIKey
KLOHDWPABZXLGI-YWUHCJSESA-M
Chemical Structure
2D Structure
2D structure of Ampicillin Sodium
CAS: 69-52-3
CID: 23663979
Formula: C16H18N3NaO4S
MW: 371.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight371.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass371.09157152
Monoisotopic Mass371.09157152
Topological Polar Surface Area141 Ų
Heavy Atom Count25
Formal Charge0
Complexity568
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

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