| CAS Number | 1940176-03-3 |
| Catalog Number | AG01EO3J(AGN-PC-3H465O) |
| Chemical Name | Abiraterone metabolite 1 |
| IUPAC Name | (5R,8R,9R,10S,13S,14R)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| InChI | InChI=1S/C24H33NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-4,7,13,15,17-19,21-22,26H,5-6,8-12,14H2,1-2H3/t17-,18?,19+,21-,22-,23+,24-/m1/s1 |
| InChI Key | UNJQRCXVHBZVTM-NJKLJVQWSA-N |
| MDL Number | MFCD31619249 |
| Molecular Formula | C24H33NO |
| Molecular Weight | 351.5249 |
| SMILES | C[C@]12CC[C@]3([C@](CC[C@]4([H])C[C@@H](O)CC[C@@]43C)([H])[C@]1([H])CC=C2C1C=CC=NC=1)[H] |
| Synonyms | 1940176-03-3,
Abiraterone metabolite 1,
|
| Complexity | 585 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 6 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 351.256g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 351.534g/mol |
| Monoisotopic Mass | 351.256g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 33.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number