| CAS Number | 1164469-60-6 |
| Catalog Number | AG01ENS4(AGN-PC-0WNMNC) |
| Chemical Name | 4-(2-Methoxyphenyl)-α-[(1-naphthalenyloxy)methyl]-1-piperazineethanolhydrochloride |
| IUPAC Name | 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride |
| InChI | InChI=1S/C24H28N2O3.ClH/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23;/h2-12,20,27H,13-18H2,1H3;1H |
| InChI Key | VQAAEWMEVIOHTJ-UHFFFAOYSA-N |
| MDL Number | MFCD09971016 |
| Molecular Formula | C24H29ClN2O3 |
| Molecular Weight | 428.9517 |
| SMILES | COC1=C(N2CCN(CC2)CC(COC3=C4C=CC=CC4=CC=C3)O)C=CC=C1.Cl |
| Synonyms | NAFTOPIDIL HYDROCHLORIDE,
SMR000058489,
MLS000069363,
1164469-60-6,
Opera_ID_518,
AC1O7FHP,
SCHEMBL6534197,
CHEMBL1257069,
MFCD09971016,
AKOS024458575,
NCGC00180922-01,
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol hydrochloride,
4-(2-Methoxyphenyl)-?-[(1-naphthalenyloxy)methyl]-1-piperazineethanol hydrochloride,
4-(2-Methoxyphenyl)-alpha-[(1-naphthalenyloxy)methyl]-1-piperazineethanolhydrochloride,
NAFTOPIDIL DIHYDROCHLORIDE,
CID6603044,
|
| Complexity | 483 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 428.187g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 428.957g/mol |
| Monoisotopic Mass | 428.187g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 45.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number