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Molecule
(-)-Tetracycline Hydrochloride
CAS: 64-75-5 · C22H25ClN2O8
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 64-75-5
- Molecular Formula
- C22H25ClN2O8
- Molecular Mass
- 480.90 g/mol
Identifiers
CAS Registry Number
64-75-5
SMILES
CN(C)[C@@H]1C(O)=C(C(=N)O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12.Cl
InChI Key
XMEVHPAGJVLHIG-FMZCEJRJSA-N
InChI
InChI=1S/C22H24N2O8.ClH/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28;/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30);1H/t9-,10-,15-,21+,22-;/m0./s1
Names and Synonyms
- (-)-Tetracycline Hydrochloride Common Name
- Tetrakap Synonym
- Vetquamycin 324 Synonym
- 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, hydrochloride (1:1), (4S,4aS,5aS,6S,12aS)- Synonym
- 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride Synonym
- 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, [4S-(4α,4aα,5aα,6β,12aα)]- Synonym
- 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, (4S,4aS,5aS,6S,12aS)- Synonym
- Cancycline-250 Synonym
- Medamycin Synonym
- Paltet Synonym
- Panmycin hydrochloride Synonym
- Polycycline hydrochloride Synonym
- Tet-Cy Synonym
- Tetracaps Synonym
- Tetracycline hydrochloride Synonym
- Achromycin hydrochloride Synonym
- Subamycin Synonym
- Tetracycline chlorohydrate Synonym
- Steclin Synonym
- Sanclomycine Synonym
- Bristaciclina Synonym
- Bristacycline Synonym
- Hostacycline Synonym
- Polyotic ointment Synonym
- Dumocyclin Synonym
- Tetrabid Synonym
- Hostacyclin Synonym
- Neocycline B Synonym
- Supramycin Synonym
- (-)-Tetracycline hydrochloride Synonym
- Tetracyklin Synonym
- Ro-Cycline Synonym
- Diocyclin Synonym
- Remicyclin Synonym
- Achro Synonym
- Tetracyn Synonym
- Tetrabon Synonym
- Purocyclina Synonym
- Criseociclina Synonym
- Cefracycline Synonym
- Tefilin Synonym
- Ala-Tet Synonym
- Cyclopar Synonym
- Triphacyclin Synonym
- Tetracompren Synonym
- Tetrachel Synonym
- Tetrabakat Synonym
- Imex Synonym
- Partrex Synonym
- Helvecyclin Synonym
- Sustamycin Synonym
- Riocyclin Synonym
- Topicycline Synonym
- Tetramavan Synonym
- Unicin Synonym
- Tetrablet Synonym
- Tetralution Synonym
- Robitet Synonym
- Tetrosol Synonym
- TetraSURE Synonym
- Ambracyn Synonym
- Quadracyclin Synonym
- Talcin Synonym
- Laudin Synonym
- Heromycin Synonym
- Sumycin Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 480.90 g/mol | CAS Common Chemistry |
| 480.9010000000001 g/mol | RDKit | |
| 480.901 g/mol | RDKit | |
| 480.898 g/mol | chempirical lib | |
| Canonical SMILES | Cl.O=C(N)C=1C(=O)C2(O)C(O)=C3C(=O)C=4C(O)=CC=CC4C(O)(C)C3CC2C(C1O)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C22H24N2O8.ClH/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28;/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30);1H/t9-,10-,15-,21+,22-;/m0./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=XMEVHPAGJVLHIG-FMZCEJRJSA-N | CAS Common Chemistry |
| Melting Point | 214 °C | CAS Common Chemistry |
| Name | (-)-Tetracycline hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 33 | RDKit |
| Hydrogen Bond Acceptors | 9 | RDKit |
| Hydrogen Bond Donors | 7 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 182.60999999999999 Ų | RDKit |
| 182.61 Ų | RDKit | |
| 170.53 Ų | chempirical lib | |
| LogP | 1.2573699999999999 | RDKit |
| 1.2574 | RDKit | |
| Molar Refractivity | 117.95000000000003 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4091 | RDKit |
| 0.41 | chempirical lib | |
| Exact Mass | 480.12994344 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 480.90 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C22H25ClN2O8.
