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Anti-MRSA agent 37

CAT: 0013-GTR19273430-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19273430-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Anti-MRSA agent 37 (Compound 5B) is an antimicrobial agent effective against methicillin-resistant Staphylococcus aureus (MRSA), with a MIC of 0.25-0.5 μg/mL. It inhibits biofilm formation, disrupts cell wall integrity, attacks the cell membrane, and induces oxidative stress. Anti-MRSA agent 37 holds potential for research into MRSA-related diseases, such as skin infections.
CAS Number
3064702-33-3
Smiles
CC1=C (N (C2=C3C=CC=C2) CCCCCCCCCCCCN4C5=C (C) [N+] (C) =CC=C5C6=C4C=CC=C6) C3=CC=[N+]1C.[I-].[I-]
Molecular Formula
C38H48I2N4
Molecular Weight
814.64
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

9-[12-(1,2-Dimethylpyrido[3,4-b]indol-2-ium-9-yl)dodecyl]-1,2-dimethylpyrido[3,4-b]indol-2-ium diiodide
CAS Number3064702-33-3
PubChem CID178421054
IUPAC Name9-[12-(1,2-dimethylpyrido[3,4-b]indol-2-ium-9-yl)dodecyl]-1,2-dimethylpyrido[3,4-b]indol-2-ium diiodide
Molecular FormulaC38H48I2N4
Molecular Weight814.6
Topological Polar Surface Area17.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count13
Heavy Atom Count44
Formal Charge0
Complexity751
SMILES
CC1=[N+](C=CC2=C1N(C3=CC=CC=C23)CCCCCCCCCCCCN4C5=CC=CC=C5C6=C4C(=[N+](C=C6)C)C)C.[I-].[I-]
InChI
InChI=1S/C38H48N4.2HI/c1-29-37-33(23-27-39(29)3)31-19-13-15-21-35(31)41(37)25-17-11-9-7-5-6-8-10-12-18-26-42-36-22-16-14-20-32(36)34-24-28-40(4)30(2)38(34)42;;/h13-16,19-24,27-28H,5-12,17-18,25-26H2,1-4H3;2*1H/q+2;;/p-2
InChIKey
MMIFLKIVXXHSPC-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of 9-[12-(1,2-Dimethylpyrido[3,4-b]indol-2-ium-9-yl)dodecyl]-1,2-dimethylpyrido[3,4-b]indol-2-ium diiodide
CAS: 3064702-33-3
CID: 178421054
Formula: C38H48I2N4
MW: 814.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight814.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count13
Exact Mass814.19684
Monoisotopic Mass814.19684
Topological Polar Surface Area17.6 Ų
Heavy Atom Count44
Formal Charge0
Complexity751
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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