| CAS Number | 862189-96-6 |
| Catalog Number | AG00GU4B |
| Chemical Name | Mirodenafil dihydrochloride |
| IUPAC Name | 5-ethyl-2-[5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-2-propoxyphenyl]-7-propyl-3H-pyrrolo[3,2-d]pyrimidin-4-one;dihydrochloride |
| InChI | InChI=1S/C26H37N5O5S.2ClH/c1-4-7-19-18-30(6-3)24-23(19)27-25(28-26(24)33)21-17-20(8-9-22(21)36-16-5-2)37(34,35)31-12-10-29(11-13-31)14-15-32;;/h8-9,17-18,32H,4-7,10-16H2,1-3H3,(H,27,28,33);2*1H |
| InChI Key | CKPHITUXXABKDL-UHFFFAOYSA-N |
| MDL Number | MFCD28139019 |
| Molecular Formula | C26H39Cl2N5O5S |
| Molecular Weight | 604.5894 |
| SMILES | O=C1C2=C(C(CCC)=CN2CC)NC(C3=CC(S(N4CCN(CCO)CC4)(=O)=O)=CC=C3OCCC)=N1.Cl.Cl |
| UNII | NL7L8TWT8Y |
| Synonyms | Mirodenafil (dihydrochloride),
Mirodenafil dihydrochloride,
862189-96-6,
Mvix,
M-vix,
Mirodenafil hydrochloride,
SK3530 dihydrochloride,
UNII-NL7L8TWT8Y,
NL7L8TWT8Y,
SK-3530 dihydrochloride,
HY-14930A,
CS-3125,
SK-3530,
|
| Complexity | 902 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 603.205g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 39 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 604.588g/mol |
| Monoisotopic Mass | 603.205g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 125A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number