| CAS Number | 1313367-56-4 |
| Catalog Number | AG01E0UT(AGN-PC-0WP0X6) |
| Chemical Name | NVP-CGM097 (sulfate) |
| IUPAC Name | 1-(4-chlorophenyl)-6-methoxy-2-[4-[methyl-[[4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl]methyl]amino]phenyl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;sulfuric acid |
| InChI | InChI=1S/C38H47ClN4O4.H2O4S/c1-25(2)47-35-22-33-28(20-34(35)46-5)21-36(44)43(38(33)27-8-10-29(39)11-9-27)32-16-14-30(15-17-32)41(4)23-26-6-12-31(13-7-26)42-19-18-40(3)37(45)24-42;1-5(2,3)4/h8-11,14-17,20,22,25-26,31,38H,6-7,12-13,18-19,21,23-24H2,1-5H3;(H2,1,2,3,4) |
| InChI Key | YFLKIFVIZIALIA-UHFFFAOYSA-N |
| MDL Number | MFCD31382179 |
| Molecular Formula | C38H49ClN4O8S |
| Molecular Weight | 757.3357 |
| SMILES | C1(OC(C)C)C=C2[C@H](C3C=CC(Cl)=CC=3)N(C3C=CC(N(C[C@H]4CC[C@H](N5CCN(C)C(=O)C5)CC4)C)=CC=3)C(=O)CC2=CC=1OC.S(O)(O)(=O)=O |
| Synonyms | NVP-CGM097 (sulfate),
1313367-56-4,
|
| Complexity | 1120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 756.296g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 52 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 757.34g/mol |
| Monoisotopic Mass | 756.296g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 149A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number