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Amoxicillin

CAT: 0926-AA182611-03Size: 25 gDry Ice: NoHazardous: No
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CAT#:0926-AA182611-03Size:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
26787-78-0
MDL Number
MFCD00056860
Smiles
C (O) (=O) [C@@H]1N2[C@@] ([C@H] (NC ([C@H] (N) C3=CC=C (O) C=C3) =O) C2=O) (SC1 (C) C) [H]
Molecular Formula
C16H19N3O5S
Molecular Weight
365.41 g/mol
Controlled
No

Chemical Information

Amoxicillin

Amoxicillin is a penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-(4-hydroxyphenyl)acetamido group. It has a role as an antibacterial drug. It is a penicillin and a penicillin allergen. It is a conjugate acid of an amoxicillin(1-).

CAS Number26787-78-0
PubChem CID33613
IUPAC Name(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-carboxylic acid
Molecular FormulaC16H19N3O5S
Molecular Weight365.4
XLogP-2
Topological Polar Surface Area158
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity590
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
InChI
InChI=1S/C16H19N3O5S/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)/t9-,10-,11+,14-/m1/s1
InChIKey
LSQZJLSUYDQPKJ-NJBDSQKTSA-N
Chemical Structure
2D Structure
2D structure of Amoxicillin
CAS: 26787-78-0
CID: 33613
Formula: C16H19N3O5S
MW: 365.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight365.4
XLogP3-2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass365.10454189
Monoisotopic Mass365.10454189
Topological Polar Surface Area158 Ų
Heavy Atom Count25
Formal Charge0
Complexity590
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

Alternative Products

CatalogName
TRC-A634528-1GAmoxicillin

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