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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.

External Resources

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

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