| CAS Number | 185055-67-8 |
| Catalog Number | AG00AMBO(AGN-PC-0QDX7K) |
| Chemical Name | 1-[[(7-Chloro-4-quinolinyl)amino]methyl]-2-[(dimethylamino)methyl]ferrocene |
| IUPAC Name | 7-chloro-N-[[2-[(dimethylamino)methyl]cyclopenta-1,4-dien-1-yl]methyl]quinolin-4-amine;cyclopenta-1,3-diene;iron(2+) |
| InChI | InChI=1S/C18H19ClN3.C5H5.Fe/c1-22(2)12-14-5-3-4-13(14)11-21-17-8-9-20-18-10-15(19)6-7-16(17)18;1-2-4-5-3-1;/h4,6-10H,5,11-12H2,1-2H3,(H,20,21);1-3H,4H2;/q2*-1;+2 |
| InChI Key | DLYPREQTTOHKSM-UHFFFAOYSA-N |
| MDL Number | MFCD09954121 |
| Molecular Formula | C23H24ClFeN3 |
| Molecular Weight | 433.7548 |
| SMILES | ClC=1C=CC=2C(=NC=CC2NC[C-]34[CH]5=[CH]6[CH]7=C3(CN(C)C)[Fe+2]89%10%116754[CH]=%12[CH]%11=[CH]%10[CH-]9[CH]%128)C1 |
| Synonyms | ferroquine,
SSR 97193,
SSR-97193,
SSR97193,
Ferroquine,
UNII-8D81JS19ET,
8D81JS19ET,
Ferroquine [INN],
SSR97193,
185055-67-8,
GTPL9972,
SSR 97193,
SSR-97193,
C479230,
Ferrocene, 1-(((7-chloro-4-quinolinyl)amino)methyl)-2-((dimethylamino)methyl)-,
|
| Complexity | 597 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 433.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 433.761g/mol |
| Monoisotopic Mass | 433.101g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number