| CAS Number | 241142-94-9 |
| Catalog Number | AG00C2LG(AGN-PC-0R00JQ) |
| Chemical Name | N-Biotinyl Dopamine |
| IUPAC Name | 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-(3,4-dihydroxyphenyl)ethyl]pentanamide |
| InChI | InChI=1S/C18H25N3O4S/c22-13-6-5-11(9-14(13)23)7-8-19-16(24)4-2-1-3-15-17-12(10-26-15)20-18(25)21-17/h5-6,9,12,15,17,22-23H,1-4,7-8,10H2,(H,19,24)(H2,20,21,25)/t12-,15-,17-/m0/s1 |
| InChI Key | PDZDPPBGYITTEH-NUTKFTJISA-N |
| MDL Number | MFCD28125410 |
| Molecular Formula | C18H25N3O4S |
| Molecular Weight | 379.4738 |
| SMILES | C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCC3=CC(=C(C=C3)O)O)NC(=O)N2 |
| Synonyms | N-Biotinyl Dopamine,
241142-94-9,
AKOS026745704,
N-(3,4-Dihydroxyphenethyl)-5-[(3abeta,6abeta)-2-oxohexahydro-1H-thieno[3,4-d]imidazole-4alpha-yl]pentanamide,
|
| Complexity | 507 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 379.157g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 379.475g/mol |
| Monoisotopic Mass | 379.157g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 136A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number