| CAS Number | 172907-03-8 |
| Catalog Number | AG01ENPL(AGN-PC-0QA6UC) |
| Chemical Name | 1-Cyclohexyl-4-[3-(1,2,3,4-tetrahydro-5-methoxy-1-naphthalenyl)propyl]piperazinedihydrochloride |
| IUPAC Name | 5-[N-(2-aminophenyl)-C-methylcarbonimidoyl]-1,6-dihydroxy-4-methylpyridin-2-one;dihydrochloride |
| InChI | InChI=1S/C14H15N3O3.2ClH/c1-8-7-12(18)17(20)14(19)13(8)9(2)16-11-6-4-3-5-10(11)15;;/h3-7,19-20H,15H2,1-2H3;2*1H |
| InChI Key | JFCDTIPTBCZHOO-UHFFFAOYSA-N |
| MDL Number | MFCD06798349 |
| Molecular Formula | C24H40Cl2N2O |
| Molecular Weight | 443.4932 |
| SMILES | Cl.Cl.C1(CCCCC1)N1CCN(CC1)CCCC1CCCC2=C(C=CC=C12)OC |
| Synonyms | 172907-03-8,
AKOS030210937,
1-Cyclohexyl-4-[3-(1,2,3,4-tetrahydro-5-methoxy-1-naphthalenyl)propyl]piperazinedihydrochloride,
PB 28 dihydrochloride,
FKMUQHJGHGZYLC-IGUOPLJTSA-N,
1-Cyclohexyl-4-[3-(1,2,3,4-tetrahydro-5-methoxy-1-naphthalenyl)propyl]piperazine dihydrochloride,
|
| Complexity | 508 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 345.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 346.208g/mol |
| Monoisotopic Mass | 345.065g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 99.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number