Basic information
- Standard SMILES
C=CC1=C(C)c2cc3[n-]c(cc4[n-]c(cc5nc(cc1n2)C(C)=C5C=C)c(C)c4CCC(=O)O)c(CCC(=O)O)c3C.O.[Fe+2]- InChIKey
CODDGSIFXYHHJO-UHFFFAOYSA-L- Molecular formula
- C34H34FeN4O5
- Average molar mass
- 634.5 g/mol
Overview
See also: Hematin (annotation moved to) ... View More ...
Names & identifiers
- Preferred name
- Ferriheme hydroxide
- IUPAC
- 3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid;iron(2+);hydrate
- English name
- HEMATIN
- Molecular formula
- C34H31FeN4O5-
- Molecular weight
- 631.49
Names & synonyms
Show more names
Database identifiers
- CAS
15489-90-4- PubChem CID
- 27337
Properties
Computed structural properties
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,010
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 180 °C · 180 °C
- storage temp.
- 2 · 2-8°C
- solubility
- DMF (Slightly), DMSO (Slightly, Heated, Sonicated), Pyridine (Slightly, Heated,
- form
- solid
- color
- Black
- biological source
- Porcine
- Merck
- 14 · 14,4635
- Stability
- Light Sensitive
- Cosmetics Ingredients Functions
- HAIR CONDITIONING
- InChIKey
- BMUDPLZKKRQECS-HXFTUNQESA-K
- SMILES
- Cc1c(CCC(O)=O)c2cc3c(CCC(O)=O)c(C)c4cc5nc(cc6c(C=C)c(C)c(cc1n2)n6[Fe](O)n34)c(C)c5C=C
- LogP
- 7.193 · 7.193 (est)
- CAS DataBase Reference
- 15489 · 15489-90-4
- NCI Dictionary of Cancer Terms
- heme
- FDA UNII
- 0 WP180G15G · 0WP180G15G
- UNSPSC Code
- 12352202 · 12352202
- NACRES
- 61 · NA.61
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P261-P271
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- RTECS
- 6725000 · NO6725000
- HS Code
- 2934999090 · 2934999090
- Storage Class
- 11 · 11 - Combustible Solids
- Toxicity
- 50 i.v · LD50 i.v. in rats: 4.32 mg/100 g (Lips)
Safety & regulation
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- rtecs
- NO6725000
- hs_code
- 2934999090
- Toxicity
- LD50 i.v. in rats: 4.32 mg/100 g (Lips)
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P261-P271
Chemistry & industry
Uses & manufacturing
Applications
DescriptionProduced from red blood cells, Hematin is a bluish-black or brownish pigment compound derived from hemoglobin by removal of the protein part and oxidation of the iron atom from ferrous Fe2+ to the ferric Fe3+ state, which does not combine with oxygen. It is effective to inhibit the synthesis of porphyrin and, at the same time, stimulate the synthesis of globin. It involves in the formation of cytochromes and peroxidases in the cell. Hematin is also a pharmaceutical used in the treatment of porphyria, which can be administered intravenously to halt the attack of acute porphyria. It functions in the liver to accelerate the production of heme and thus preventing the further accumulation of heme precursors, porphyrins, which is effective to alleviate the symptoms of porphyria.
UsesIndicator, biological stain.
UsesHematin was used in a study to test in vitro activities of the Rx-01 oxazolidinones against hospital and community pathogens. It was also used in a study to test in-vitro bacterial identification using fluorescence spectroscopy with an optical fiber system.
Suppliers50 total
Additional notes
DefinitionThe hydroxide of heme. Not to be confused with hematein.
Related reactions
Linked notes
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