Dihydrogenhydroxy[3,8,13,17-tetramethyl-7,12-divinyl-21H,23H-porphin-2,18-dipropionato(4-)-N21,N22,N23,N24]ferrat(2-)

heme · haem · HAEMATIN · HEMATIN · HEMATEIN · Hematins · phenodin · ferriheme

https://huagongshe.com/de/chemical/27337

Molekülstruktur von Dihydrogenhydroxy[3,8,13,17-tetramethyl-7,12-divinyl-21H,23H-porphin-2,18-dipropionato(4-)-N21,N22,N23,N24]ferrat(2-)

Identifikatoren & physikalische Daten

CAS No.	15489-90-4
Summenformel	C34H34FeN4O5
Durchschnittliche Molmasse	634,5 g/mol
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.O.[Fe+2]
InChIKey	CODDGSIFXYHHJO-UHFFFAOYSA-L
PubChem CID	27337
Lokaler Name	Dihydrogenhydroxy[3,8,13,17-tetramethyl-7,12-divinyl-21H,23H-porphin-2,18-dipropionato(4-)-N21,N22,N23,N24]ferrat(2-)

Chemische & physikalische Eigenschaften

Polarare Oberfläche (TPSA)	103
H-Brücken-Donoren	3
H-Brücken-Akzeptoren	9
Frei drehbare Bindungen	8
Schwere Atome	44
Formalladung	0
Komplexität	1.010
Kosmetika	Hair conditioning
Schmelzpunkt	180 °C
Lagerbedingungen	2-8°C
Löslichkeit	DMF (Slightly), DMSO (Slightly, Heated, Sonicated), Pyridine (Slightly, Heated,
Aggregatzustand	solid
Farbe	Black
Biologische Quelle	Porcine
Merck	14,4635
Stabilität	Light Sensitive
Kosmetik-Inhaltsstoffe Funktionen	HAIR CONDITIONING
InChIKey	BMUDPLZKKRQECS-HXFTUNQESA-K
SMILES	Cc1c(CCC(O)=O)c2cc3c(CCC(O)=O)c(C)c4cc5nc(cc6c(C=C)c(C)c(cc1n2)n6[Fe](O)n34)c(C)c5C=C
LogP (Verteilungskoeffizient)	7.193 (est)
CAS Datenbank	15489-90-4

Sicherheit & Vorschriften

Wassergefährdungsklasse (WGK)	3
Zollcode	2934999090
RTECS-Nr.	NO6725000
Toxizität	LD50 i.v. in rats: 4.32 mg/100 g (Lips)
Lagerklasse	11 - Combustible Solids

Anwendungen & Verwendung

Verwenden

Hematin was used in a study to test in vitro activities of the Rx-01 oxazolidinones against hospital and community pathogens. It was also used in a study to test in-vitro bacterial identification using fluorescence spectroscopy with an optical fiber system.