1. Primary Information
| English name: | Doryx |
| CAS No.: | 24390-14-5 |
| Molecular formula: | C46H58Cl2N4O18 |
| Molecular weight: | 1025.9 g/mol |
| SMILES: | CCO.CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.O.Cl.Cl |
| Structural class: | |
| Other identifiers: |
2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, (4S-(4alpha,4aalpha,5alpha,5aalpha,6alpha,12aalpha))- alpha 6 Deoxyoxytetracycline alpha-6-Deoxyoxytetracycline Atridox BMY 28689 |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 20mg | HPLC≥98% | 192 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100mg | HPLC≥98% | 480 | 2-8℃ | in stock | - |
| Kehua Intelligence | 10ml | Doxycycline,50mg/ml | 224 | -20℃,避光,12个月 | in stock | - |
| Kehua Intelligence | 5g | ACS级，95-102% | 40 | 2-8℃ | in stock | - |
| Kehua Intelligence | 25g | ACS级，95-102% | 72 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100g | ACS级，95-102% | 224 | 2-8℃ | in stock | - |
| Kehua Intelligence | 500g | ACS级，95-102% | 720 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;ethanol;hydrate;dihydrochloride
4.2 InChI
InChI=1S/2C22H24N2O8.C2H6O.2ClH.H2O/c2*1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;1-2-3;;;/h2*4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31);3H,2H2,1H3;2*1H;1H2/t2*7-,10+,14+,15-,17-,22-;;;;/m00..../s1
4.3 InChIKey
UHHHTIKWXBRCLT-VDBOFHIQSA-N
4.4 Canonical SMILES
CCO.CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.O.Cl.Cl
4.5 Isomeric SMILES
CCO.C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.O.Cl.Cl
