| CAS Number | 591778-70-0 |
| Catalog Number | AG00ECDB(AGN-PC-0SRJC3) |
| Chemical Name | CP-640186 (hydrochloride) |
| IUPAC Name | [(3R)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone;hydrochloride |
| InChI | InChI=1S/C30H35N3O3.ClH/c34-29(32-16-18-36-19-17-32)24-8-5-13-33(21-24)25-11-14-31(15-12-25)30(35)28-26-9-3-1-6-22(26)20-23-7-2-4-10-27(23)28;/h1-4,6-7,9-10,20,24-25H,5,8,11-19,21H2;1H/t24-;/m1./s1 |
| InChI Key | DUBNXJIOBFRASV-GJFSDDNBSA-N |
| MDL Number | MFCD28167776 |
| Molecular Formula | C30H36ClN3O3 |
| Molecular Weight | 522.0781 |
| SMILES | Cl.C1=CC=CC2=CC3=CC=CC=C3C(=C12)C(=O)N1CCC(CC1)N1C[C@@H](CCC1)C(=O)N1CCOCC1 |
| Synonyms | CP-640186 (hydrochloride),
CP-640186 hydrochloride,
591778-70-0,
SCHEMBL6181697,
KS-00000TTO,
CP 640186 HCl,
HY-15259A,
AKOS030632796,
CS-3135,
CP-640186 hydrochloride, >=95% (HPLC),
|
| Complexity | 753 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 521.245g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 37 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 522.086g/mol |
| Monoisotopic Mass | 521.245g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number