Protoporphyrin IX containing fe
Basic information
- CAS
104244-10-2- Standard SMILES
C=CC1=C(C)c2cc3[n-]c(cc4nc(cc5[n-]c(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
- Monoisotopic mass
- 616.177291
Overview
Heme is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
Names & identifiers
- Preferred name
- Protoporphyrin IX containing fe
- IUPAC
- 3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,23-diid-2-yl]propanoic acid;iron(2+)
- English name
- C.I. Solvent Yellow 162
- Molecular weight
- 0
Names & synonyms
hemeprotoheme IX119112-08-214875-96-8104244-10-2heme b102087-07-0143258-00-83-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,23-diid-2-yl]propanoic acid;iron(2+)protoporphyrin ix containing feSCHEMBL4008orb1298501
Show more names
C.I. Solvent Yellow 162
STL513098AKOS037491592Ferrate(2-), [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-4-2)-[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~2~N~22~,N~24~)dipropanoato(2-)]iron
Database identifiers
- CAS
104244-10-2- PubChem CID
- 444098
- EC Number
- 600-546-5
Properties
Computed structural properties
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,580
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (10 of 10) of all reports.
Not Classified
Aggregated GHS information provided per 10 reports by companies from 1 notifications to the ECHA C&L Inventory.
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.
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Uses & manufacturing
Household ProductsInformation on 2 consumer products that contain Solvent Yellow 162 in the following categories is provided:
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Related reactions
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Compound notes
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