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Marinopyrrole A 5mg

CAT: 0628-A17206-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A17206-5Size:5 mg
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CAS Number
1227962-62-0

Chemical Information

Marinopyrrole A

(-)-marinopyrrole A is a member of the class of pyrroles that is 1'H-1,3'-bipyrrole substituted by four chloro groups at positions 4, 4', 5 and 5' and two 2-hydroxybenzoyl moieties at positions 2 and 2'. It is isolated from Streptomyces sp.CNQ-418 and exhibits cytotoxic and antibacterial activities. It has a role as an antimicrobial agent, an antibacterial agent, an antineoplastic agent, a marine metabolite and a bacterial metabolite. It is a member of pyrroles, a member of phenols, an organochlorine compound and an aromatic ketone.

CAS Number1227962-62-0
PubChem CID24797083
IUPAC Name[4,5-dichloro-1-[4,5-dichloro-2-(2-hydroxybenzoyl)-1H-pyrrol-3-yl]pyrrol-2-yl]-(2-hydroxyphenyl)methanone
Molecular FormulaC22H12Cl4N2O4
Molecular Weight510.1
XLogP8
Topological Polar Surface Area95.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity715
SMILES
C1=CC=C(C(=C1)C(=O)C2=CC(=C(N2C3=C(NC(=C3Cl)Cl)C(=O)C4=CC=CC=C4O)Cl)Cl)O
InChI
InChI=1S/C22H12Cl4N2O4/c23-12-9-13(19(31)10-5-1-3-7-14(10)29)28(22(12)26)18-16(24)21(25)27-17(18)20(32)11-6-2-4-8-15(11)30/h1-9,27,29-30H
InChIKey
QYPJBTMRYKRTFG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Marinopyrrole A
CAS: 1227962-62-0
CID: 24797083
Formula: C22H12Cl4N2O4
MW: 510.1
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight510.1
XLogP38
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass509.952168
Monoisotopic Mass507.955118
Topological Polar Surface Area95.3 Ų
Heavy Atom Count32
Formal Charge0
Complexity715
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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