Basic information
- CAS
14875-96-8- Standard SMILES
C=CC1=C(C)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(C)c5CCC(=O)[O-])C(CCC(=O)[O-])=C4C)c(C)c3C=C.[Fe+2]- InChIKey
KABFMIBPWCXCRK-UHFFFAOYSA-J- Molecular formula
- C34H30FeN4O4-2
- Average molar mass
- 614.5 g/mol
- Monoisotopic mass
- 614.161641
Overview
Protoheme IX is a metabolite found in or produced by Saccharomyces cerevisiae.
Names & identifiers
- Preferred name
- protoheme IX
- IUPAC
- 3-[18-(2-carboxylatoethyl)-7,12-bis(ethenyl)-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoate;iron(2+)
- English name
- Hematin
- Molecular formula
- C34H31FeN4O4-
- Molecular weight
- 615.49
Names & synonyms
protoheme IXprotohemeFerrohemeReduced hematinheme bferroprotoporphyrinprotoporphyrin ix containing fe14875-96-8[dihydrogen 3,7,12,17-tetramethyl-8,13-divinyl-2,18-porphinedipropionato(2-)]-iron(SP-4-2)-[7,12-Diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-N21,N22,N23,N24]ferrate(2-) dihydrogenFerrate(2-), [7,12-diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-N21,N22,N23,N24]-, (SP-4-2)- (9CI)Heme irom
Show more names
Fe(II) Protoporphyrin IX (Hematin)Hematin 1%ferroheme bHematin USP/EP/BPHIP/Heme iron polypeptide(protoporphyrinato)iron(II)
Database identifiers
- CAS
Properties
Computed structural properties
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 43
- Formal charge
- -2
- Complexity
- 1,570
Physicochemical properties
- storage temp.
- -20 °C,protect · Store at -20°C,protect from light
- solubility
- 1 mg/ml,DMSO: · DMF: 1 mg/ml,DMSO: slightly soluble
- form
- A solid
- color
- Brown to black
- Stability
- Light Sensitive
- InChIKey
- KABFMIBPWCXCRK-RGGAHWMASA-K
- SMILES
- C(C1C(=C2C=C3C(C=C)=C(C)C4C=C5C(C=C)=C(C)C6=CC7C(C)=C(CCC(=O)[O-])C8N=7[Fe+2]([N-]56)(N3=4)[N-]2C=1C=8)C)CC(=O)[O-].[H+]
- FDA UNII
- 42 VZT0U6YR · 42VZT0U6YR
- EPA Substance Registry System
- 2 · Ferrate(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)- (14875-96-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P321-P362+P364-P332+P313-P337+P313-P403+P233-P405-P501
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
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P321-P362+P364-P332+P313-P337+P313-P403+P233-P405-P501
Chemistry & industry
Applications
UsesFerroprotoporphyrin IX is a metabolite formed during biosynthesis and is used to evaluate iron nutrition and metabolism.It is also an iron containing cofactor that is involved with a wide range of cellular functions including oxygen transport.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
河北九星化工产品有限公司13503103636 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
山东海舟生物工程有限公司130-0567-0367 13006570367 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
武汉欣扬瑞和化学科技有限公司18171205315; 18171205315 · [email protected]
陕西帕尼尔生物科技有限公司029-84385017-8003 13259417953 · [email protected]
西安天朗源生物科技有限公司17749038280 17749038280 · [email protected]
武汉零加一化工有限公司15972036926 15972036926 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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