zifanocyclinum- CAS 1420294-56-9
zifanocyclinum is a tetracycline antibiotic
Catalog Number: I038694
CAS Number: 1420294-56-9
Molecular Formula: C29H36N4O7
Molecular Weight:552.63
Purity: 98.0%
Appearance:Solid powder
* For research use only. Not for human or veterinary use.
Synonym
| Synonyms | zifanocyclinum; zifanocycline |
|---|
Property
| Molecular Formula: | C29H36N4O7 |
|---|---|
| Molecular Weight | 552.63 |
| Solubility | To be determined |
| Purity | 98.0% |
| Storage | Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years). |
Computed Descriptor
| IUPAC Name | (4S,4aS,5aR,12aS)-9-[(3-azabicyclo[3.1.0]hexan-3- yl)methyl]-4,7-bis(dimethylamino)-3,10,12,12atetrahydroxy- 1,11-dioxo-1,4,4a,5,5a,6,11,12aoctahydrotetracene- 2-carboxamide |
|---|---|
| InChI | InChI=1S/C29H36N4O7/c1-31(2)18-8-15(11-33-9-13-5-14(13)10-33)23(34)20-16(18)6-12-7-17-22(32(3)4)25(36)21(28(30)39)27(38)29(17,40)26(37)19(12)24(20)35/h8,12-14,17,22,34,36-37,40H,5-7,9-11H2,1-4H3,(H2,30,39)/t12-,13?,14?,17-,22-,29-/m0/s1 |
| InChIKey | YOOGAONNHXDMEQ-OMBSCLNISA-N |
| SMILES | O=C1C2=C(O)C(CN3CC4CC4C3)=CC(N(C)C)=C2C[[email protected]@](C1=C5O)([H])C[[email protected]]6([H])[[email protected]@]5(O)C(C(C(N)=O)=C(O)[[email protected]]6N(C)C)=O |