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Ampicillin

CAT: 1489-A6920-03Size: 25 gDry Ice: NoHazardous: No
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CAT#:1489-A6920-03Size:25 g
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CAS Number
69-53-4

Chemical Information

Ampicillin

Ampicillin is a penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-phenylacetamido group. It has a role as an antibacterial drug. It is a penicillin, a beta-lactam antibiotic and a penicillin allergen. It is a conjugate acid of an ampicillin(1-).

CAS Number69-53-4
PubChem CID6249
IUPAC Name(2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular FormulaC16H19N3O4S
Molecular Weight349.4
XLogP-1.1
Topological Polar Surface Area138
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity562
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
InChI
InChI=1S/C16H19N3O4S/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)/t9-,10-,11+,14-/m1/s1
InChIKey
AVKUERGKIZMTKX-NJBDSQKTSA-N
Chemical Structure
2D Structure
2D structure of Ampicillin
CAS: 69-53-4
CID: 6249
Formula: C16H19N3O4S
MW: 349.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight349.4
XLogP3-1.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass349.10962727
Monoisotopic Mass349.10962727
Topological Polar Surface Area138 Ų
Heavy Atom Count24
Formal Charge0
Complexity562
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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