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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
Sumycin
Heromycin
Laudin
Talcin
Quadracyclin
Ambracyn
TetraSURE
Tetrosol
Robitet
Tetralution
Tetrablet
Unicin
Tetramavan
Topicycline
Riocyclin
Sustamycin
Helvecyclin
Partrex
Imex
Tetrabakat
Tetrachel
Tetracompren
Triphacyclin
Cyclopar
Ala-Tet
Tefilin
Cefracycline
Criseociclina
Purocyclina
Tetrabon
Tetracyn
Achro
Remicyclin
Diocyclin
Ro-Cycline
Tetracyklin
(-)-Tetracycline hydrochloride
Supramycin
Neocycline B
Hostacyclin
Tetrabid
Dumocyclin
Polyotic ointment
Hostacycline
Bristacycline
Bristaciclina
Sanclomycine
Steclin
Tetracycline chlorohydrate
Subamycin
Achromycin hydrochloride
Tetracycline hydrochloride
Tetracaps
Tet-Cy
Polycycline hydrochloride
Panmycin hydrochloride
Paltet
Medamycin
Cancycline-250
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)-
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)]-
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
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)-
Vetquamycin 324
Tetrakap
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 |
