Npc76529
Basic information
- CAS
16009-13-5- 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.[Cl-].[Fe+3]- InChIKey
BTIJJDXEELBZFS-UHFFFAOYSA-K- Molecular formula
- C34H32ClFeN4O4
- Average molar mass
- 651.9 g/mol
Overview
Hemin (trade name Panhematin) is an iron-containing porphyrin. More specifically, it is protoporphyrin IX containing a ferric iron ion (heme B) with a chloride ligand.
Names & identifiers
- Preferred name
- Npc76529
- IUPAC
- 3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid;iron(3+);chloride
- English name
- Hemin
- Molecular formula
- C34H31ClFeN4O4-
- Molecular weight
- 650.94
Names & synonyms
RefChem:1093269Npc76529heminChlorohemin16009-13-5hemin chloridePanhematinHematin chlorideFerriprotoporphyrin chlorideMFCD00010726Chloro(protoporphyrinato)iron(III)3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid;iron(3+);chloride
Show more names
(-)-Syringaresnol-4-O-beta-D-apiofuranosHEMIN PORCINEPROTOHEMIN IXFerriheMe chlorideHAEMINHemin>Hemin,99%Hemin, USP
Ferriprotoporphyrin IX chlorideHEMIN [VANDF]HEMIN [JAN]HEMIN [WHO-DD]HEMIN [MI]743LRP9S7NSCHEMBL29369977MSK2396
Database identifiers
- CAS
16009-13-5- PubChem CID
- 455658
- ChEMBL
CHEMBL1200662
Properties
Computed structural properties
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,010
Physicochemical properties
- Melting point
- 300 °C · 300 °C
- storage temp.
- 2 · 2-8°C
- solubility
- 1.4 M · 1.4 M NaOH: soluble25mg/mL
- form
- crystal
- color
- black
- biological source
- Porcine
- Water Solubility
- practically insoluble
- Merck
- 14 · 14,4644
- BRN
- 5229914 · 5229914
- Exposure limits
- 1 mg/m3NIOSH: · ACGIH: TWA 1 mg/m3NIOSH: TWA 1 mg/m3
- Stability
- Stable. Incompatible with strong oxidizing agents. Combustible.
- InChIKey
- BTIJJDXEELBZFS-HXFTUNQESA-K
- SMILES
- [Cl-][Fe+3]123[N-]4C5C(C)=C(C=C)C4=CC4C(C)=C(C=C)C(=CC6=C(C)C(CCC(=O)[O-])=C(C=C7C(CCC(=O)[O-])=C(C)C(C=5)=N17)[N-]26)N3=4.[H+]
- FDA UNII
- 743 LRP9S7N · 743LRP9S7N
- ATC code
- 6 AB01 · B06AB01
- EPA Substance Registry System
- 2 · Ferrate(2-), chloro[7,12-diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-.kappa.N21,.kappa.N22,.kappa.N23,.kappa.N24]-, dihydrogen, (SP-5-13)- (16009-13-5)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 8
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- LJ8080000
- hs_code
- 29349990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- hazard_code
- Xi
- safety_code
- 24/25-22-36-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H334
- Precautionary statements
- P261-P285-P304+P341-P342+P311-P403-P501c
Chemistry & industry
Pharmacology
ATC Code
B - Blood and blood forming organs
QB - Blood and blood forming organs
Applications
DescriptionHemin is a metalloporphyrin compound with a relatively simple structure. It is formed by the complexation of a molecule of ferrous iron and protoporphyrin. It is an in vitro group substitute of natural heme and its chemical properties are similar to that of heme. Heme, an essential small molecule in living organisms, can be found abundantly in various organisms including animals, plants, microorganisms, and algae.
UsesHemin is used in cellular protection and control mechanism. It stimulates the synthesis of globulin. It is also used to study the bacterial strains and growth conditions, in the short-term colony assays and cell transfections. Further, it is used to treat the symptoms of various porphyrias. In addition, it is used in the preparation of agar medium for the bacteria culture.
General DescriptionHeme is a small molecule present either free or bound to hemoglobin in the bloodstream of mammals. This is an alternative source of iron within the host that contains a porphyrin ring containing a Fe2+ ion called hemin.
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