| CAS Number | 361431-33-6 |
| Catalog Number | AG01E4AZ(AGN-PC-0RBN2F) |
| Chemical Name | Diminutol |
| IUPAC Name | (2R)-2-[[6-(3-aminophenyl)sulfanyl-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol |
| InChI | InChI=1S/C19H26N6OS/c1-11(2)15(9-26)22-19-23-17-16(21-10-25(17)12(3)4)18(24-19)27-14-7-5-6-13(20)8-14/h5-8,10-12,15,26H,9,20H2,1-4H3,(H,22,23,24)/t15-/m0/s1 |
| InChI Key | NLQYQPZBKDUXKS-HNNXBMFYSA-N |
| MDL Number | MFCD23160286 |
| Molecular Formula | C19H26N6OS |
| Molecular Weight | 386.5143 |
| SMILES | CC(C)N1C2=NC(N[C@@H](CO)C(C)C)=NC(SC3=CC=CC(N)=C3)=C2N=C1 |
| Synonyms | diminutol,
Diminutol,
361431-33-6,
Diminisher of microtubule,
NG72,
2-(1R-Isopropyl-2-hydroxyethylamino)-6-(3-aminophenylthio)-9-isopropylpurine,
CTK8F0853,
DTXSID50587896,
ZINC83433889,
RT-012367,
(2R)-2-({6-[(3-Aminophenyl)sulfanyl]-9-(propan-2-yl)-9H-purin-2-yl}amino)-3-methylbutan-1-ol,
|
| Complexity | 468 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 386.189g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 386.518g/mol |
| Monoisotopic Mass | 386.189g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 127A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number