| CAS Number | 1049731-36-3 |
| Catalog Number | AG008STD(AGN-PC-00URVM) |
| Chemical Name | 1-Naphthylacetyl Spermine Trihydrochloride |
| IUPAC Name | N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-naphthalen-1-ylacetamide;trihydrochloride |
| InChI | InChI=1S/C22H34N4O.3ClH/c23-12-6-15-24-13-3-4-14-25-16-7-17-26-22(27)18-20-10-5-9-19-8-1-2-11-21(19)20;;;/h1-2,5,8-11,24-25H,3-4,6-7,12-18,23H2,(H,26,27);3*1H |
| InChI Key | JNEOJAUJWOPWJS-UHFFFAOYSA-N |
| MDL Number | MFCD01321052 |
| Molecular Formula | C22H37Cl3N4O |
| Molecular Weight | 479.9144 |
| SMILES | Cl.Cl.Cl.NCCCNCCCCNCCCNC(CC1=CC=CC2=CC=CC=C12)=O |
| Synonyms | NASPM trihydrochloride,
1049731-36-3,
Naspm (trihydrochloride),
1-Naphthylacetyl spermine trihydrochloride,
N-[3-[[4-[(3-Aminopropyl)amino]butyl]amino]propyl]-1-naphthaleneacetamide Trihydrochloride,
C22H34N4O.3ClH,
3913AH,
HY-12506A,
AKOS024457283,
CS-3630,
1-Naphthyl acetyl spermine trihydrochloride,
B7180,
FT-0672640,
J-001309,
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-naphthalen-1-ylacetamide;trihydrochloride,
|
| Complexity | 391 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 4 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 478.203g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 7 |
| Isotope Atom Count | 0 |
| Molecular Weight | 479.915g/mol |
| Monoisotopic Mass | 478.203g/mol |
| Rotatable Bond Count | 14 |
| Topological Polar Surface Area | 79.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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