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7-APRA

CAT: 0013-GTR19263479-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19263479-02Size:50 mg
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Description
7-APRA is a semisynthetic intermediate of the cephalosporin class of antibiotics. It exhibits antibacterial activity and is primarily used in the synthesis of other cephalosporin antibiotics, such as Cefaclor and Cefprozil.
CAS Number
120709-09-3
Field of Research
Infectious Disease & Virology
Smiles
C (O) (=O) C=1N2[C@@] ([C@H] (N) C2=O) (SCC1C=CC) [H]
Molecular Formula
C10H12N2O3S
Molecular Weight
240.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

7-Amino-8-oxo-3-((1E)-prop-1-enyl)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, (6R,7R)-

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CAS Number120709-09-3
PubChem CID10220388
IUPAC Name(6R,7R)-7-amino-8-oxo-3-[(E)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular FormulaC10H12N2O3S
Molecular Weight240.28
XLogP-2.5
Topological Polar Surface Area109
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity416
SMILES
C/C=C/C1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)O
InChI
InChI=1S/C10H12N2O3S/c1-2-3-5-4-16-9-6(11)8(13)12(9)7(5)10(14)15/h2-3,6,9H,4,11H2,1H3,(H,14,15)/b3-2+/t6-,9-/m1/s1
InChIKey
ZYLDQHILNOZKIF-DHLUJLSBSA-N
Chemical Structure
2D Structure
2D structure of 7-Amino-8-oxo-3-((1E)-prop-1-enyl)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, (6R,7R)-
CAS: 120709-09-3
CID: 10220388
Formula: C10H12N2O3S
MW: 240.28
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight240.28
XLogP3-2.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass240.05686342
Monoisotopic Mass240.05686342
Topological Polar Surface Area109 Ų
Heavy Atom Count16
Formal Charge0
Complexity416
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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