| CAS Number | 1333207-63-8 |
| Catalog Number | AG009CF8(AGN-PC-0WQWK5) |
| Chemical Name | 4-{[(1R,2R)-2-[(3R)-3-Aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy}-3-chlorobenzonitrile |
| IUPAC Name | 4-[[(1R,2R)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-3-chlorobenzonitrile;dihydrochloride |
| InChI | InChI=1S/C21H22ClN3O.2ClH/c22-18-10-14(12-23)7-8-20(18)26-21-17-6-2-1-4-15(17)11-19(21)25-9-3-5-16(24)13-25;;/h1-2,4,6-8,10,16,19,21H,3,5,9,11,13,24H2;2*1H/t16-,19-,21-;;/m1../s1 |
| InChI Key | LFMYIKNZNTZSJX-IQJQELQDSA-N |
| MDL Number | MFCD27992059 |
| Molecular Formula | C21H24Cl3N3O |
| Molecular Weight | 440.7938 |
| SMILES | N[C@H](CCC1)CN1[C@H]2[C@H](OC3=C(Cl)C=C(C#N)C=C3)C4=CC=CC=C4C2.Cl.Cl |
| Synonyms | TRPC6 inhibitor,
SAR7334 (hydrochloride),
1333207-63-8,
4-(((1R,2R)-2-((R)-3-Aminopiperidin-1-yl)-2,3-dihydro-1H-inden-1-yl)oxy)-3-chlorobenzonitrile dihydrochloride,
TRCP6 inhibitor,
CPA-1588 dihydrochloride,
SAR 7334,
HY-15699A,
MFCD29127428,
AKOS030524290,
CS-2104,
AX8317088,
4-[[(1R,2R)-2-[(3R)-3-Amino-1-piperidinyl]-2,3-dihydro-1H-inden-1-yl]oxy]-3-chlorobenzonitrile dihydrochloride,
SAR7334 hydrochloride,
CPA-1588,
|
| Complexity | 535 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 439.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 440.793g/mol |
| Monoisotopic Mass | 439.098g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number