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(-)-Tetracycline Hydrochloride
CAS: 64-75-5 | C22H25ClN2O8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
64-75-5
Molecular Formula:
C22H25ClN2O8
Molecular Weight:
480.9010000000001 g/mol
Names and Synonyms:
(-)-Tetracycline Hydrochloride
Common Name
Sumycin
Synonym
Heromycin
Synonym
Laudin
Synonym
Talcin
Synonym
Quadracyclin
Synonym
Ambracyn
Synonym
TetraSURE
Synonym
Tetrosol
Synonym
Robitet
Synonym
Tetralution
Synonym
Tetrablet
Synonym
Unicin
Synonym
Tetramavan
Synonym
Topicycline
Synonym
Riocyclin
Synonym
Sustamycin
Synonym
Helvecyclin
Synonym
Partrex
Synonym
Imex
Synonym
Tetrabakat
Synonym
Tetrachel
Synonym
Tetracompren
Synonym
Triphacyclin
Synonym
Cyclopar
Synonym
Ala-Tet
Synonym
Tefilin
Synonym
Cefracycline
Synonym
Criseociclina
Synonym
Purocyclina
Synonym
Tetrabon
Synonym
Tetracyn
Synonym
Achro
Synonym
Remicyclin
Synonym
Diocyclin
Synonym
Ro-Cycline
Synonym
Tetracyklin
Synonym
(-)-Tetracycline hydrochloride
Synonym
Supramycin
Synonym
Neocycline B
Synonym
Hostacyclin
Synonym
Tetrabid
Synonym
Dumocyclin
Synonym
Polyotic ointment
Synonym
Hostacycline
Synonym
Bristacycline
Synonym
Bristaciclina
Synonym
Sanclomycine
Synonym
Steclin
Synonym
Tetracycline chlorohydrate
Synonym
Subamycin
Synonym
Achromycin hydrochloride
Synonym
Tetracycline hydrochloride
Synonym
Tetracaps
Synonym
Tet-Cy
Synonym
Polycycline hydrochloride
Synonym
Panmycin hydrochloride
Synonym
Paltet
Synonym
Medamycin
Synonym
Cancycline-250
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
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
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
Vetquamycin 324
Synonym
Tetrakap
Synonym
Identifiers:
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:
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 480.9010000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 480.12994344 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 33 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 9 count | RDKit |
| Hydrogen Bond Donors | 7 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 182.60999999999999 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.2573699999999999 | RDKit |
| molecular_mass | 480.90 g/mol | Legacy Database |
| cas-canonical-smile | 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 None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=XMEVHPAGJVLHIG-FMZCEJRJSA-N None | Legacy Database |
| cas-melting-point | 214 °C None | Legacy Database |
| cas-name | (-)-Tetracycline hydrochloride None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 117.95000000000003 | RDKit |