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Hematin

CAT: 0013-GTR19216704-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19216704-01Size:200 mg
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Description
Hematin is an iron-containing porphyrin. It is used for testing in vitro activities of the Rx-01 oxazolidinones against hospital and community pathogens.
CAS Number
15489-90-4
Product Name Alternative
Ferrihemate | Ferriheme | Ferriheme hydroxide | Ferrihemic acid
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 1.43 mg/mL (2.26 mM)
Smiles
CC1=C (C=C2C (C) =C (C=C) C3=[N]2[Fe]45 (O) N6C (C (C) =C (C=C) C6=C7) =C3) N4C (C=C8[N]5=C7C (C) =C8CCC (O) =O) =C1CCC (O) =O
Molecular Formula
C34H33FeN4O5
Molecular Weight
633.5
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Hematin porcine

See also: Hematin (annotation moved to) ... View More ...

CAS Number15489-90-4
PubChem CID449355
IUPAC Name3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,23-diid-2-yl]propanoic acid;iron(2+);hydrate
Molecular FormulaC34H34FeN4O5
Molecular Weight634.5
Topological Polar Surface Area102
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count44
Formal Charge0
Complexity1580
SMILES
CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C=C)C)C=C)C(=C3CCC(=O)O)C)CCC(=O)O.O.[Fe+2]
InChI
InChI=1S/C34H34N4O4.Fe.H2O/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);;1H2/q;+2;/p-2
InChIKey
CODDGSIFXYHHJO-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Hematin porcine
CAS: 15489-90-4
CID: 449355
Formula: C34H34FeN4O5
MW: 634.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight634.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass634.187856
Monoisotopic Mass634.187856
Topological Polar Surface Area102 Ų
Heavy Atom Count44
Formal Charge0
Complexity1580
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes