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Coproporphyrin III

CAT: 0804-HY-101398-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-101398-01Size:1 mg
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Description
Coproporphyrin III (Zincphyrin) is a naturally occurring porphyrin derivative that is mainly found in urine[1][2].
CAS Number
14643-66-4
Product Name Alternative
Zincphyrin
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Endogenous Metabolite
Type
Natural Products
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/Coproporphyrin_III.html
Purity
99.57
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
O=C(O)CCC1=C2/C=C3C(CCC(O)=O)=C(C)C(/C=C(N/4)/C(C)=C(CCC(O)=O)C4=C\C5=N/C(C(CCC(O)=O)=C5C)=C\C(N2)=C1C)=N/3
Molecular Formula
C36H38N4O8
Molecular Weight
654.71
Precautions
H302, H315, H319, H335
References & Citations
[1]Watson CJ, et al. Studies of coproporphyrin. iii. idiopathic coproporphyrinuria; a hitherto unrecognized form characterized by lack of symptoms in spite of the excretion of large amounts of coproporphyrin. J Clin Invest. 1949 May;28 (3) :465-8.|[2]Trask HW, et al. Effect of insulin and glucagon on accumulation of uroporphyrin and coproporphyrin from 5-aminolevulinate in hepatocyte cultures. Arch Biochem Biophys. 2005 Jul 1;439 (1) :1-11.|[3]Krishnamohan M, et al. Urinary arsenic and porphyrin profile in C57BL/6J mice chronically exposed to monomethylarsonous acid (MMAIII) for two years. Toxicol Appl Pharmacol. 2007 Oct 1;224 (1) :89-97.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Natural Products
Clinical Information
No Development Reported
Isoform
Human Endogenous Metabolite

Chemical Information

Coproporphyrin III

Coproporphyrin III is a coproporphyrin. It has a role as a human metabolite. It is a conjugate acid of a coproporphyrin III(4-).

CAS Number14643-66-4
PubChem CID114935
IUPAC Name3-[8,13,18-tris(2-carboxyethyl)-3,7,12,17-tetramethyl-21,24-dihydroporphyrin-2-yl]propanoic acid
Molecular FormulaC36H38N4O8
Molecular Weight654.7
XLogP2.6
Topological Polar Surface Area207
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Heavy Atom Count48
Formal Charge0
Complexity1170
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
InChI
InChI=1S/C36H38N4O8/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29/h13-16,38,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)
InChIKey
XNBNKCLBGTWWSD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Coproporphyrin III
CAS: 14643-66-4
CID: 114935
Formula: C36H38N4O8
MW: 654.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight654.7
XLogP32.6
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Exact Mass654.26896418
Monoisotopic Mass654.26896418
Topological Polar Surface Area207 Ų
Heavy Atom Count48
Formal Charge0
Complexity1170
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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