Compound Summary
Compound Information
Doxycycline hydrochloride
Compound Name: | Doxycycline hydrochloride |
Compound CID: | 54685920 |
Synonyms: | Doxycycline hydrochloride 10592-13-9 Doxycycline HCl Doxylin Doxycycline, HCl More... |
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;hydrochloride |
InChI: | InChI=1S/C22H24N2O8.ClH/c1-7-8-5-4-6-9(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;/h4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31);1H/t7-,10+,14+,15-,17-,22-;/m0./s1 |
InChIKey: | PTNZGHXUZDHMIQ-CVHRZJFOSA-N |
Canonical Smiles: | 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.Cl |
Isomeric Smiles: | 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.Cl |
Molecular Weight: | 480.9 |
Molecular Formula: | C22H25ClN2O8 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Doxycycline hydrochloride
Molecular Weight: | 480.9 |
Molecular Formula: | C22H25ClN2O8 |
Hydrogen Bond Donor Count: | 7 |
Hydrogen Bond Acceptor Count: | 9 |
Rotatable Bond Count: | 2 |
Heavy Atom Count: | 33 |
Complexity: | 956 |
Synonyms
Doxycycline hydrochloride
| Doxycycline hydrochloride | Doxycycline hydrochloride |
|---|---|
Doxycycline hydrochloride |
10592-13-9 |
Doxycycline HCl |
Doxylin |
Doxycycline, HCl |
Doxycycline hyclate |
Doxycycline (hydrochloride) |
Vibramycin |
UNII-4182Z6T2ET |
Vibra-tabs |
CHEBI:652992 |
4182Z6T2ET |
24390-14-5 |
Doxigalumicina |
Vibramycin (TN) |
Doxycycline, Hyclate |
DSSTox_CID_25405 |
DSSTox_RID_80856 |
DSSTox_GSID_45405 |
(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;hydrochloride |
6-Desoxy-5-hydroxytetracycline hydrochloride |
Biocamycin |
Idocyklin |
Liomycin |
Mespafin |
Midoxin |
Nivocilin |
Novadox |
Samecin |
Tanamicin |
Tecacin |
Tetradox |
Vibradox |
Ecodox |
Doxy-tablinen |
alpha-6-Deoxy-5-hydroxytetracycline hydrochloride |
Vibramycin hyclate |
Doxy-II |
Vibramycin, Hyclate |
RETENS |
NSC633557 |
Vibramycin hydrochloride |
(4S,4aR,5S,5aR,6R,12aS)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride |
Hyclate |
C22H25ClN2O8 |
SR-01000075844 |
Doxycycline Hydrochloride JAN |
Deoxyoxytetracycline hydrochloride |
EINECS 234-198-7 |
Deoxy-5-hydroxytetracycline hydrochloride |
(4S,4aR,5S,5aR,6R,12aS)-4-(Dimethylamino)- 3,5,10,12,12a-pentahydroxy- 6-methyl- 1,11-dioxo- 1,4,4a,5,5a,6,11,12a-octahydrotetracene- 2-carboxamide hydrochloride hemiethanolate hemihydrate |
NCGC00016693-01 |
CAS-10592-13-9 |
SCHEMBL40834 |
SPECTRUM1500266 |
CHEMBL1256723 |
DTXSID1045405 |
HY-N0565A |
HMS1920I20 |
Pharmakon1600-01500266 |
Tox21_110566 |
Tox21_500405 |
BDBM50248132 |
CCG-38949 |
MFCD03427564 |
NSC756751 |
AKOS015924649 |
Tox21_110566_1 |
KS-5254 |
LP00405 |
MCULE-8555113623 |
NSC 756751 |
NSC-633557 |
NSC-756751 |
NCGC00161602-06 |
NCGC00261090-01 |
2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, (4S,4aR,5S,5aR,6R,12aS)- |
2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, (4S-(4alpha,4aalpha,5alpha,5aalpha,6alpha,12aalpha))- |
AC-12044 |
BD166411 |
EU-0100405 |
D 9891 |
D07877 |
J-000264 |
SR-01000075844-1 |
SR-01000075844-8 |
Q27105187 |
2-Naphthacenecarboxamide, 4-dimethylamino-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, hydrochloride |
2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride,(4S,4aR,5S,5aR,6R,12aS)- |
Experimental Data
Doxycycline hydrochloride
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33 | umol/L | 18 | S | N2 | 24134630 | Active | ||||||
| Caenorhabditis elegans | 33 | umol/L | 18 | S | N2 | 33683565 | Active |
Experimental Data Visualization
Doxycycline hydrochloride
Statistics Data
Doxycycline hydrochloride
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 18 | 2 | 2 |
Statistics Data Visualization
Doxycycline hydrochloride
