Hemin

Hemin
Clinical data
AHFS/Drugs.com	Consumer Drug Information
Routes of; administration	Intravenous infusion
ATC code	B06AB01 (WHO) ;
Legal status
Legal status	CA: ℞-only / Schedule D; US: ℞-only;
Identifiers
	IUPAC name Chloro[3,7,12,17-tetramethyl-8,13-divinylporphyrin-2,18-dipropanoato(2−)]iron(III);
CAS Number	16009-13-5 ;
PubChem CID	5318002;
ChemSpider	21160444 ;
UNII	743LRP9S7N;
ChEBI	CHEBI:50385;
ChEMBL	ChEMBL1628226 ;
Chemical and physical data
Formula	C34H32ClFeN4O4
Molar mass	651.95 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES OC(=O)CCC=5C1=C\C6=N\C(=C/c3n2[Fe](Cl)N1C(=C\C4=N\C(=C/c2c(C=C)c3C)C(/C)=C4/C=C)/C=5C)C(\C)=C6\CCC(O)=O;
	InChI InChI=1S/C34H34N4O4.ClH.Fe/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);1H;/q;;+3/p-3/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16?;; ; Key:BTIJJDXEELBZFS-UKFHATERSA-K ;
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Hemin (haemin; ferric chloride heme) is an iron-containing porphyrin with chlorine that can be formed from a heme group, such as heme B found in the hemoglobin of human blood.

Clinical data


AHFS/Drugs.com	Consumer Drug Information
Routes of administration	Intravenous infusion
ATC code	B06AB01 (WHO)
Legal status
Legal status	CA: ℞-only / Schedule D US: ℞-only
Identifiers
IUPAC name Chloro[3,7,12,17-tetramethyl-8,13-divinylporphyrin-2,18-dipropanoato(2−)]iron(III)
CAS Number	16009-13-5^Y
PubChem CID	5318002
ChemSpider	21160444^Y
UNII	743LRP9S7N
ChEBI	CHEBI:50385
ChEMBL	ChEMBL1628226^N
Chemical and physical data
Formula	C₃₄H₃₂ClFeN₄O₄
Molar mass	651.95 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES OC(=O)CCC=5C1=C\C6=N\C(=C/c3n2[Fe](Cl)N1C(=C\C4=N\C(=C/c2c(C=C)c3C)C(/C)=C4/C=C)/C=5C)C(\C)=C6\CCC(O)=O
InChI InChI=1S/C34H34N4O4.ClH.Fe/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);1H;/q;;+3/p-3/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16?;;^Y Key:BTIJJDXEELBZFS-UKFHATERSA-K^Y
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