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Amoxicillin Related Compound B

CAT: 1596-AR-A09594-01Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A09594-01Size:25 Units
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CAS Number
26889-93-0
Synonyms
6-[2-Amino-2- (p-hydroxyphenyl) acetamido]-3,3-dimethyl-7-oxo-4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid; , [2S-[2?,5?,6? (R*) ]]-6-[[Amino (4-hydroxyphenyl) acetyl]amino]-3,3-dimethyl-7-oxo-4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid; USP Amoxicillin Related Compound B; Amoxicillin EP Impurity B
Molecular Formula
C16H19N3O5S
Molecular Weight
365.4
API Name
Amoxicillin

Chemical Information

Amoxicillin, L-

(2S,5R,6R)-6-[[(2S)-2-amino-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid is a penicillin.

CAS Number26889-93-0
PubChem CID32324
IUPAC Name(2S,5R,6R)-6-[[(2S)-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+/m0/s1
InChIKey
LSQZJLSUYDQPKJ-BBGACYKPSA-N
Chemical Structure
2D Structure
2D structure of Amoxicillin, L-
CAS: 26889-93-0
CID: 32324
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

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GAA53882-01Levocarnitine Related Compound A
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