| CAS Number | 862373-14-6 |
| Catalog Number | AG00IDYX(AGN-PC-0V38GF) |
| Chemical Name | BIOTIN-DOOA HCL |
| IUPAC Name | 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pentanamide;hydrochloride |
| InChI | InChI=1S/C16H30N4O4S.ClH/c17-5-7-23-9-10-24-8-6-18-14(21)4-2-1-3-13-15-12(11-25-13)19-16(22)20-15;/h12-13,15H,1-11,17H2,(H,18,21)(H2,19,20,22);1H/t12-,13-,15-;/m0./s1 |
| InChI Key | UNQYTGLJZONNBD-HZPCBCDKSA-N |
| MDL Number | MFCD13185031 |
| Molecular Formula | C16H31ClN4O4S |
| Molecular Weight | 410.9597 |
| SMILES | C1C2C(C(S1)CCCCC(=O)NCCOCCOCCN)NC(=O)N2.Cl |
| Synonyms | 862373-14-6,
Biotin-dooa hcl,
MFCD13185031,
AKOS027323957,
1-Biotinyl-3,6-dioxa-8-octaneamine hydrochloride,
Biotinyl-1-amino-3,6-dioxa-8-octanamine hydrochlride,
(3aS,4S,6aR)-N-[2-[2-(2-Aminoethoxy)ethoxy]ethyl]hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanamide monohydrochloride,
|
| Complexity | 427 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 410.175g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 410.958g/mol |
| Monoisotopic Mass | 410.175g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 140A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number