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| CAS No.: | 16009-13-5 |
|---|---|
| Name: | Hemin |
| Molecular Structure: | |
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| Formula: | C34H32ClFeN4O4 |
| Molecular Weight: | 651.952 |
| Synonyms: | Protoferriheme;Ferrate(2-),chloro[7,12-diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-kN21,kN22,kN23,kN24]-, hydrogen (1:2), (SP-5-13)-;Protohemin chloride;Teichmann's crystals;Ferrate(2-),chloro[7,12-diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-kN21,kN22,kN23,kN24]-, dihydrogen, (SP-5-13)-(9CI);Iron, chloro[dihydrogen3,7,12,17-tetramethyl-8,13-divinyl-2,18-porphinedipropionato(2-)]- (8CI);Protohemin IX (6CI);1,3,5,8-Tetramethyl-2,4-divinylporphine-6,7-dipropionicacid ferrichloride;Chlorohemin;Chloroprotoferriheme;Ferric hemin;Ferriheme chloride;Ferriporphyrin chloride;Ferriprotoporphyrin;Ferriprotoporphyrin IX chloride;Hemin IX;Iron(III) protoporphyrin chloride;Panhematin;Chloroprotoporphyrin IX iron(III); |
| EINECS: | 240-140-1 |
| Melting Point: | 300 °C |
| Solubility: | Soluble in dilute alkali solution, slightly soluble in alcohol, insoluble in dilute acid and water. |
| Appearance: | Dark purple crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 24/25-22-36-26 |
| PSA: | 109.18000 |
| LogP: | 4.29920 |
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(SP-5-13)-chloro(7,12-diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-N21,N22,N23,N24)-ferrate(2-), dihydrogen
| Conditions | Yield |
|---|---|
| for 24h; radioactivity investigations with duck blood; |
- 16009-13-5
(SP-5-13)-chloro(7,12-diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-N21,N22,N23,N24)-ferrate(2-), dihydrogen
A
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B
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| Conditions | Yield |
|---|---|
| for 24h; incorporation tests with 14C-markation; |
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Specification
The Hemin, with the CAS registry number 16009-13-5, is also known as Chloroprotoporphyrin IX iron(III). It belongs to the product categories of Organometallics; Natural Porphyrins and Derivitives; Porphyrins; Biochemistry; Classes of Metal Compounds; Fe (Iron) Compounds; Transition Metal Compounds; Organic amine. Its EINECS number is 240-140-1. This chemical's molecular formula is C34H32ClFeN4O4 and molecular weight is 651.94. What's more, its systematic name is Chloro[3,3'-(3,7,12,17-tetramethyl-8,13-divinyl-2,18-porphyrindiyl-κ2N22,N24)dipropanoato(2-)]iron. This chemical should be sealed in a brown glass bottle, and it should be stored in a cool and dry place. Moreover, it should be protected from light. It is used in the management of porphyria attacks, particularly in acute intermittent porphyria.
Physical properties of Hemin are: (1)#H bond acceptors: 8; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 8; (4)Polar Surface Area: 107.49 Å2.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You should not breathe dust. When using it, you need wear suitable protective clothing, and you must avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)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
(2)Std. 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?;;
(3)Std. InChIKey: BTIJJDXEELBZFS-UKFHATERSA-K