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Amoxicillin Trihydrate EP Impurity L

CAT: 1299-RM-A132412-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-A132412-01Size:10 mg
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CAS Number
1789703-32-7
Synonyms
(2S,5R,6R) -6- ((2S,5R,6R) -6- ((R) -2-amino-2- (4-hydroxyphenyl) acetamido) -3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamido) -3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular Formula
C24H29N5O7S2
Molecular Weight
563.65
Target Alternative Name
Amoxicillin
Product Name Synonym
(2S,5R,6R) -6- ((2S,5R,6R) -6- ((R) -2-amino-2- (4-hydroxyphenyl) acetamido) -3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamido) -3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Chemical Information

N-(Penicillan-6-yl) amoxicillinamide
CAS Number1789703-32-7
PubChem CID76958655
IUPAC Name(2S,5R,6R)-6-[[(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-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular FormulaC24H29N5O7S2
Molecular Weight563.7
XLogP-2.1
Topological Polar Surface Area233
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count38
Formal Charge0
Complexity1080
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)N[C@H]4[C@@H]5N(C4=O)[C@H](C(S5)(C)C)C(=O)O)C
InChI
InChI=1S/C24H29N5O7S2/c1-23(2)14(17(32)27-13-19(34)29-15(22(35)36)24(3,4)38-21(13)29)28-18(33)12(20(28)37-23)26-16(31)11(25)9-5-7-10(30)8-6-9/h5-8,11-15,20-21,30H,25H2,1-4H3,(H,26,31)(H,27,32)(H,35,36)/t11-,12-,13-,14+,15+,20-,21-/m1/s1
InChIKey
VUPFQJZTIWDYHG-SHJTWVOLSA-N
Chemical Structure
2D Structure
2D structure of N-(Penicillan-6-yl) amoxicillinamide
CAS: 1789703-32-7
CID: 76958655
Formula: C24H29N5O7S2
MW: 563.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight563.7
XLogP3-2.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass563.15084063
Monoisotopic Mass563.15084063
Topological Polar Surface Area233 Ų
Heavy Atom Count38
Formal Charge0
Complexity1080
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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RM-A132404-01Amoxicillin EP Impurity D
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RM-A132410-01Amoxicillin EP Impurity J
RM-A132406-01Amoxicillin EP Impurity F
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Alternative Products

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IA63617-01Amoxicillin trihydrate impurity C
FA63620-01Amoxicillin trihydrate impurity F
FA63616-01Amoxicillin trihydrate impurity B
IA63622-01Amoxicillin trihydrate impurity H
IA63621-01Amoxicillin trihydrate impurity G
FA63624-01Amoxicillin trihydrate impurity K
FA63619-01Amoxicillin trihydrate impurity E
A004-25GAmoxicillin Trihydrate
HY-B0467B-01Amoxicillin (trihydrate)

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