| CAS Number | 1281870-42-5 |
| Catalog Number | AG009CK1 |
| Chemical Name | Rhosin (hydrochloride) |
| IUPAC Name | (2R)-2-amino-3-(1H-indol-3-yl)-N-[(E)-quinoxalin-6-ylmethylideneamino]propanamide;hydrochloride |
| InChI | InChI=1S/C20H18N6O.ClH/c21-16(10-14-12-24-17-4-2-1-3-15(14)17)20(27)26-25-11-13-5-6-18-19(9-13)23-8-7-22-18;/h1-9,11-12,16,24H,10,21H2,(H,26,27);1H/b25-11+;/t16-;/m1./s1 |
| InChI Key | SFRGBDFQSLZYLF-GRYLRVQNSA-N |
| MDL Number | MFCD18794648 |
| Molecular Formula | C20H19ClN6O |
| Molecular Weight | 394.8575 |
| SMILES | N[C@H](CC1=CNC2=CC=CC=C21)C(N/N=C/C3=CC=C4N=CC=NC4=C3)=O.Cl |
| Synonyms | Rhosin (hydrochloride),
Rhosin hydrochloride,
1281870-42-5,
(R,E)-2-amino-3-(1H-indol-3-yl)-N'-(quinoxalin-6-ylmethylene)propanehydrazide hydrochloride,
AKOS016367775,
CS-3877,
HY-12646,
D-Tryptophan (2E)-2-(6-quinoxalinylmethylene)hydrazide hydrochloride,
C20H19ClN6O,
|
| Complexity | 541 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 394.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 394.863g/mol |
| Monoisotopic Mass | 394.131g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number