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Chemical structure of Coproporphyrin III dihydrochloride

GC77022

Coproporphyrin III dihydrochloride

Also known as 3-[8,13,18-tris(2-carboxyethyl)-3,7,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoic acid;dihydrochloride

Coproporphyrin III dihydrochloride is a bioactive molecule excreted by nostril- and skin-associated Propionibacterium species that induces aggregation of Staphylococcus aureus (conditions: during early stationary phase growth, low pH: 4-6)

ChemicalCAS68938-73-8MW727.63FormulaC36H40Cl2N4O8
CAS number
68938-73-8
Molecular weight
727.63
Formula
C36H40Cl2N4O8
Solubility
DMSO： 100 mg/mL (137·43 mM; Need ultrasonic)
InChIKey
IXBATLQJODMDEH-UHFFFAOYSA-N
Catalogue number
GC77022
Brand
GLPBIO
Computed properties PubChem CID 173165 · TPSA 207 Ų · H-bond donors 8 · H-bond acceptors 10
TPSA
207 Ų
H-bond donors
8
H-bond acceptors
10
Rotatable bonds
12
Heavy atoms
50

SMILES CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)C)CCC(=O)O)C)CCC(=O)O)CCC(=O)O.Cl.Cl

Computed descriptors from PubChem (CID 173165), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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