| CAS Number | 1402821-24-2 |
| Catalog Number | AG009CH8 |
| Chemical Name | Ca2+ channel agonist 1 |
| IUPAC Name | (2R)-2-[[6-(benzylamino)-9-propylpurin-2-yl]amino]butan-1-ol |
| InChI | InChI=1S/C19H26N6O/c1-3-10-25-13-21-16-17(20-11-14-8-6-5-7-9-14)23-19(24-18(16)25)22-15(4-2)12-26/h5-9,13,15,26H,3-4,10-12H2,1-2H3,(H2,20,22,23,24)/t15-/m1/s1 |
| InChI Key | LKXPLOHGQSEPEM-OAHLLOKOSA-N |
| MDL Number | MFCD29472269 |
| Molecular Formula | C19H26N6O |
| Molecular Weight | 354.4493 |
| SMILES | C(C1=CC=CC=C1)NC1=C2N=CN(C2=NC(=N1)N[C@@H](CO)CC)CCC |
| Synonyms | Ca2+ channel agonist 1,
1402821-24-2,
CHEMBL2206262,
SCHEMBL5517026,
LKXPLOHGQSEPEM-OAHLLOKOSA-N,
BDBM50400565,
ZINC95558175,
AKOS030526486,
NCGC00485485-01,
(R)-2-(6-(Benzylamino)-9-propyl-9H-purin-2-ylamino)butan-1-ol,
|
| Complexity | 406 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 354.217g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 354.458g/mol |
| Monoisotopic Mass | 354.217g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 87.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number