| CAS Number | 1283000-43-0 |
| Catalog Number | AG009CDE |
| Chemical Name | MK-8033 (hydrochloride) |
| IUPAC Name | 1-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide;hydrochloride |
| InChI | InChI=1S/C25H21N5O3S.ClH/c1-30-15-20(13-28-30)19-11-23-24(27-12-19)8-7-18-6-5-17(10-22(18)25(23)31)16-34(32,33)29-14-21-4-2-3-9-26-21;/h2-13,15,29H,14,16H2,1H3;1H |
| InChI Key | BKIQDRGTLKPYCL-UHFFFAOYSA-N |
| MDL Number | MFCD28167721 |
| Molecular Formula | C25H22ClN5O3S |
| Molecular Weight | 507.9919 |
| SMILES | O=S(CC1=CC=C2C(C(C3=CC(C4=CN(C)N=C4)=CN=C3C=C2)=O)=C1)(NCC5=NC=CC=C5)=O.Cl |
| Synonyms | MK-8033 hydrochloride,
MK-8033 (hydrochloride),
1283000-43-0,
SCHEMBL10322477,
HY-13299A,
AKOS030526381,
CS-1849,
|
| Complexity | 859 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 507.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 507.993g/mol |
| Monoisotopic Mass | 507.113g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 115A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number