Primary Record
Hemin a2
- In stock
- 3,919 g
- Purity
- 98.4 %
- CAS
- 18535-39-2
Compound Identifiers & Properties
- CAS
- 18535-39-2
- PubChem CID
- 177839441
- SMILES
- [H+].[H+].CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C=C)C)C(CCCC(C)CCCC(C)CCCC(C)C)O)C)C(=C3CCC(=O)[O-])C=O)CCC(=O)[O-].[Fe+2]
- Canonical SMILES
- C=CC1=C(C)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(C)c5CCC(=O)[O-])C(CCC(=O)[O-])=C4C=O)c(C)c3C(O)CCCC(C)CCCC(C)CCCC(C)C.[Fe+2].[H+].[H+]
Names & Synonyms
- Hemin a2
- DTXSID50897568
- 18535-39-2
- Dihydrogen {3,3'-[7-ethenyl-17-formyl-12-(1-hydroxy-5,9,13-trimethyltetradecyl)-3,8,13-trimethylporphine-21,23-diide-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato}ferrate(2-)