| CAS Number | 127253-05-8 |
| Catalog Number | AG01CB7N(AGN-PC-0PII29) |
| Chemical Name | Clarithromycin (9Z)-Oxime |
| IUPAC Name | (3R,4S,5S,6R,7R,9R,10Z,11S,12R,13S,14R)-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-10-hydroxyimino-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one |
| InChI | InChI=1S/C38H70N2O13/c1-15-26-38(10,45)31(42)21(4)28(39-46)19(2)17-37(9,48-14)33(53-35-29(41)25(40(11)12)16-20(3)49-35)22(5)30(23(6)34(44)51-26)52-27-18-36(8,47-13)32(43)24(7)50-27/h19-27,29-33,35,41-43,45-46H,15-18H2,1-14H3/b39-28-/t19-,20?,21+,22+,23-,24?,25?,26-,27?,29?,30+,31-,32?,33-,35?,36?,37-,38-/m1/s1 |
| InChI Key | MWBJRTBANFUBOX-KINKDRJOSA-N |
| MDL Number | MFCD28127223 |
| Molecular Formula | C38H70N2O13 |
| Molecular Weight | 762.9680 |
| SMILES | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@@](C)(C[C@@H](C)C(=NO)[C@H](C)[C@@H](O)[C@]1(C)O)OC |
| Synonyms | |
| Complexity | 1230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 10 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 762.488g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 53 |
| Hydrogen Bond Acceptor Count | 15 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 762.979g/mol |
| Monoisotopic Mass | 762.488g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 198A^2 |
| Undefined Atom Stereocenter Count | 8 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number