| CAS Number | 885104-09-6 |
| Catalog Number | AG01ENNB(AGN-PC-0VLZYC) |
| Chemical Name | (3S)-N-(2,4-Dichlorobenzyl)-1-(5-bromopyrimidin-2-yl)pyrrolidinyl-3-aminehydrochloride |
| IUPAC Name | (3S)-1-(5-bromopyrimidin-2-yl)-N-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride |
| InChI | InChI=1S/C15H15BrCl2N4.ClH/c16-11-7-20-15(21-8-11)22-4-3-13(9-22)19-6-10-1-2-12(17)5-14(10)18;/h1-2,5,7-8,13,19H,3-4,6,9H2;1H/t13-;/m0./s1 |
| InChI Key | IRIBLLOEUZMCQY-ZOWNYOTGSA-N |
| MDL Number | MFCD28133385 |
| Molecular Formula | C15H16BrCl3N4 |
| Molecular Weight | 438.5773 |
| SMILES | Cl.BrC=1C=NC(=NC1)N1C[C@H](CC1)NCC1=C(C=C(C=C1)Cl)Cl |
| Synonyms | LY 2389575 hydrochloride,
885104-09-6,
LY 2389575 HCl,
SCHEMBL952981,
AKOS024458441,
(3S)-N-(2,4-Dichlorobenzyl)-1-(5-bromopyrimidin-2-yl)pyrrolidinyl-3-amine hydrochloride,
(3S)-N-(2,4-Dichlorobenzyl)-1-(5-bromopyrimidin-2-yl)pyrrolidinyl-3-aminehydrochloride,
IRIBLLOEUZMCQY-ZOWNYOTGSA-N,
CID11503054,
(3S)-1-(5-bromopyrimidin-2-yl)-N-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-amine Hydrochloride,
|
| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 435.962g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 438.575g/mol |
| Monoisotopic Mass | 435.962g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 41A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number