| CAS Number | 2070015-26-6 |
| Catalog Number | AG01EB19 |
| Chemical Name | SRT3025 HCl |
| IUPAC Name | 5-(3-methoxypropyl)-2-phenyl-N-[2-[6-(pyrrolidin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-1,3-thiazole-4-carboxamide;hydrochloride |
| InChI | InChI=1S/C31H31N5O2S2.ClH/c1-38-17-9-14-26-27(35-29(39-26)22-10-3-2-4-11-22)28(37)33-24-13-6-5-12-23(24)30-34-25-18-21(19-32-31(25)40-30)20-36-15-7-8-16-36;/h2-6,10-13,18-19H,7-9,14-17,20H2,1H3,(H,33,37);1H |
| InChI Key | LGRBDTOIPNDWMN-UHFFFAOYSA-N |
| MDL Number | MFCD29924722 |
| Molecular Formula | C31H32ClN5O2S2 |
| Molecular Weight | 606.2011 |
| SMILES | O=C(C1=C(CCCOC)SC(C2=CC=CC=C2)=N1)NC3=CC=CC=C3C4=NC5=CC(CN6CCCC6)=CN=C5S4.[H]Cl |
| Synonyms | Sirtuin modulator 1,
SRT3025 Hydrochloride,
SRT3025 HCl,
2070015-26-6,
HY-19758A,
s8481,
AKOS032944945,
CS-5444,
AK685530,
SRT3025,
1231952-55-8,
|
| Complexity | 811 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 605.169g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 41 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 606.2g/mol |
| Monoisotopic Mass | 605.169g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 137A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number