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Amoxicillin

CAT: 0926-SQC55971-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-SQC55971-05Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1642559-71-4
Smiles
N[C@H] (C1=CC=C (C=C1) O) C (NC (C2SC (C) ([C@@H] (N2) C (O[Na]) =O) C) C (O) =O) =O
Molecular Formula
C16H20NaN3O6S
Molecular Weight
405.4 g/mol
Controlled
No

Chemical Information

Amoxicillin Impurity D
CAS Number1642559-71-4
PubChem CID129318452
IUPAC Namesodium (4S)-2-[[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-carboxymethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate
Molecular FormulaC16H20N3NaO6S
Molecular Weight405.4
Topological Polar Surface Area190
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity570
SMILES
CC1([C@@H](NC(S1)C(C(=O)O)NC(=O)[C@@H](C2=CC=C(C=C2)O)N)C(=O)[O-])C.[Na+]
InChI
InChI=1S/C16H21N3O6S.Na/c1-16(2)11(15(24)25)19-13(26-16)10(14(22)23)18-12(21)9(17)7-3-5-8(20)6-4-7;/h3-6,9-11,13,19-20H,17H2,1-2H3,(H,18,21)(H,22,23)(H,24,25);/q;+1/p-1/t9-,10?,11+,13?;/m1./s1
InChIKey
OWFQIGGKWCUTRP-FQBITWOQSA-M
Chemical Structure
2D Structure
2D structure of Amoxicillin Impurity D
CAS: 1642559-71-4
CID: 129318452
Formula: C16H20N3NaO6S
MW: 405.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight405.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass405.09705082
Monoisotopic Mass405.09705082
Topological Polar Surface Area190 Ų
Heavy Atom Count27
Formal Charge0
Complexity570
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TRC-A634528-1GAmoxicillin

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