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SB 204070 hydrochloride

CAT: 0013-GTR19196957-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196957-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SB 204070 hydrochloride is a beta-lactamase inhibitor derived from the plant Spondias mombin. It is utilized in antimicrobial research to study resistance mechanisms and has shown inhibitory activity in in vitro assays against various bacterial enzymes.
CAS Number
148702-58-3
Smiles
O=C (OCC1CCN (CCCC) CC1) C2=CC (Cl) =C (N) C=3OCCOC32
Molecular Formula
C19H27ClN2O4
Molecular Weight
382.88
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

SB 204070 hydrochloride
CAS Number148702-58-3
PubChem CID121881
IUPAC Name(1-butylpiperidin-4-yl)methyl 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxine-8-carboxylate
Molecular FormulaC19H27ClN2O4
Molecular Weight382.9
XLogP3.5
Topological Polar Surface Area74
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity459
SMILES
CCCCN1CCC(CC1)COC(=O)C2=CC(=C(C3=C2OCCO3)N)Cl
InChI
InChI=1S/C19H27ClN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
InChIKey
AOOSJYIINXVNHV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SB 204070 hydrochloride
CAS: 148702-58-3
CID: 121881
Formula: C19H27ClN2O4
MW: 382.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.9
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass382.1659350
Monoisotopic Mass382.1659350
Topological Polar Surface Area74 Ų
Heavy Atom Count26
Formal Charge0
Complexity459
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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