Basic information
- CAS
104244-10-2- 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.[Fe+2]- InChIKey
KABFMIBPWCXCRK-UHFFFAOYSA-L- Molecular formula
- C34H32FeN4O4
- Average molar mass
- 616.5 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
- Hemin
- IUPAC
- 3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid;iron(2+)
- English name
- C.I. Solvent Yellow 162
- Molecular weight
- 0
Names & synonyms
hemeprotohemeFerroheme14875-96-8Reduced hematinFerroprotoporphyrin IXferroprotoporphyrinIron protoporphyrin ixProtohaemHaemprotoheme IXheme b
Show more names
C.I. Solvent Yellow 162
Ferrous protohemeIron protoporphyrinFerrous protoheme IX42VZT0U6YRIron(II) protoporphyrin IXheminNormosang3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid;iron(2+)
Database identifiers
- CAS
104244-10-2、14875-96-8、16009-13-5- PubChem CID
- 26945
- ChEMBL
CHEMBL1200662- UNII
- 42VZT0U6YR
Properties
Computed structural properties
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,010
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: C.I. Solvent Yellow 162
C.I. Solvent Yellow 162: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Chemistry & industry
Pharmacology
ATC Code
B - Blood and blood forming organs
QB - Blood and blood forming organs
Suppliers4 total
南通众益鑫化工有限公司0513-84531888 13584620555 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
广州市海珠区正鸿商行020-82550624 13016020539 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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