Chemical Compound

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-)

CAS Registry Number 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-) 结构式
Primary record

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-)

库存
3,919 克
纯度
98.4 %
CAS
18535-39-2

化合物标识与属性

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+]

名称与同义词

  • 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-)