| CAS Number | 84467-85-6 |
| Catalog Number | AG00G58Q(AGN-PC-00KT0L) |
| Chemical Name | N-Formyl N,N-Didesmethyl Sibutramine |
| IUPAC Name | N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]formamide |
| InChI | InChI=1S/C16H22ClNO/c1-12(2)10-15(18-11-19)16(8-3-9-16)13-4-6-14(17)7-5-13/h4-7,11-12,15H,3,8-10H2,1-2H3,(H,18,19) |
| InChI Key | IYVDPOSYKKHSFG-UHFFFAOYSA-N |
| MDL Number | MFCD09840256 |
| Molecular Formula | C16H22ClNO |
| Molecular Weight | 279.8050 |
| SMILES | CC(C)CC(NC=O)C1(CCC1)c2ccc(Cl)cc2 |
| Synonyms | N-Formyl N,N-Didesmethyl Sibutramine,
84467-85-6,
N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]formamide,
N-{1-[1-(4-Chlorophenyl)cyclobutyl]-3-methylbutyl}formamide,
Formamide, N-(1-(1-(4-chlorophenyl)cyclobutyl)-3-methylbutyl)-,
Formamide, N-[1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl]-,
SCHEMBL2644,
N-Formyl-desmethyl-sibutramine,
FOR004,
DTXSID80517661,
FT-0668823,
{N-[1-(4-Chlorophenyl)cyclobutyl]-3-methylbutyl}formamide,
4-Chloro-1-[1-[1-(formylamino)-3-methylbutyl]cyclobutyl]benzene,
UNII-P623ZR3N4K,
P623ZR3N4K,
|
| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.139g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.808g/mol |
| Monoisotopic Mass | 279.139g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number