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SB-202742

CAT: 0804-HY-120835Size: 1 EachDry Ice: NoHazardous: No
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Description
SB-202742 is an active compound.
CAS Number
124576-72-3
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/sb-202742.html
Smiles
O=C(C1=C(CCCCCCC/C=C/C/C=C/C/C=C/CC)C=CC=C1O)O
Molecular Formula
C24H34O3
Molecular Weight
370.52
References & Citations
[1]SB-202742, a novel β-lactamase inhibitor isolated from Spondias mombin
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

SB 202742

an anacardic acid derivative; isolated from Spondias mombin; structure given in first source; RN given refers to compound with no isomeric designation

CAS Number124576-72-3
PubChem CID6439182
IUPAC Name2-[(8E,11E,14E)-heptadeca-8,11,14-trienyl]-6-hydroxybenzoic acid
Molecular FormulaC24H34O3
Molecular Weight370.5
XLogP8.3
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Heavy Atom Count27
Formal Charge0
Complexity464
SMILES
CC/C=C/C/C=C/C/C=C/CCCCCCCC1=C(C(=CC=C1)O)C(=O)O
InChI
InChI=1S/C24H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h3-4,6-7,9-10,17,19-20,25H,2,5,8,11-16,18H2,1H3,(H,26,27)/b4-3+,7-6+,10-9+
InChIKey
MBYMHCHZLAJVRK-IUQGRGSQSA-N
Chemical Structure
2D Structure
2D structure of SB 202742
CAS: 124576-72-3
CID: 6439182
Formula: C24H34O3
MW: 370.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.5
XLogP38.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Exact Mass370.25079494
Monoisotopic Mass370.25079494
Topological Polar Surface Area57.5 Ų
Heavy Atom Count27
Formal Charge0
Complexity464
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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