Compound Summary
Compound Information
DEMECLOCYCLINE HYDROCHLORIDE
Compound Name: | DEMECLOCYCLINE HYDROCHLORIDE |
Compound CID: | 54686764 |
Synonyms: | DEMECLOCYCLINE HYDROCHLORIDE 64-73-3 Demeclocycline HCL Clortetrin Detravis More... |
Iupac Name: | (4S,4aS,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrochloride |
InChI: | InChI=1S/C21H21ClN2O8.ClH/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31;/h3-4,6-7,14-15,25-27,30,32H,5H2,1-2H3,(H2,23,31);1H/t6-,7-,14-,15-,21-;/m0./s1 |
InChIKey: | OAPVUSSHCBRCOL-KBHRXELFSA-N |
Canonical Smiles: | CN(C)C1C2CC3C(C4=C(C=CC(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)Cl)O.Cl |
Isomeric Smiles: | CN(C)[C@H]1[C@@H]2C[C@@H]3[C@@H](C4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)Cl)O.Cl |
Molecular Weight: | 501.3 |
Molecular Formula: | C21H22Cl2N2O8 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
DEMECLOCYCLINE HYDROCHLORIDE
Molecular Weight: | 501.3 |
Molecular Formula: | C21H22Cl2N2O8 |
Hydrogen Bond Donor Count: | 7 |
Hydrogen Bond Acceptor Count: | 9 |
Rotatable Bond Count: | 2 |
Heavy Atom Count: | 33 |
Complexity: | 961 |
Synonyms
DEMECLOCYCLINE HYDROCHLORIDE
| DEMECLOCYCLINE HYDROCHLORIDE | DEMECLOCYCLINE HYDROCHLORIDE |
|---|---|
DEMECLOCYCLINE HYDROCHLORIDE |
64-73-3 |
Demeclocycline HCL |
Clortetrin |
Detravis |
Declomycin |
Demethylchlortetracycline hydrochloride |
7-Chloro-6-demethyltetracycline hydrochloride |
Ledermycin |
Demeclocycline (hydrochloride) |
6-Demethyl-7-chlorotetracycline hydrochloride |
UNII-29O079NTYT |
Mexocine |
7-Chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-2-naphthacenecarboxamide monohydrochloride |
MFCD00082371 |
(4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride |
Elkamicina |
MLS000028422 |
29O079NTYT |
CHEBI:59725 |
64-73-3 (HCl) |
Ledermicina |
Ledermycine |
Veraciclina |
Demeplus |
Detracin |
SMR000058439 |
Declomycin hydrochloride |
DSSTox_CID_25252 |
DSSTox_RID_80775 |
DSSTox_GSID_45252 |
Demethylchlorotetracycline hydrochloride |
Demeclocycline hydrochloride hydrate |
SR-01000075825 |
EINECS 200-592-2 |
Demeclocycline hydrochloride (internal use) |
Declomycin (TN) |
(4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrochloride |
Prestwick_235 |
Demeclocycline hydrochloride USP:BAN |
Opera_ID_242 |
CAS-64-73-3 |
NCGC00016290-01 |
EC 200-592-2 |
SCHEMBL41286 |
MLS001076091 |
MLS001333687 |
Demethylchlortetracycline HCl; |
SPECTRUM1500226 |
CHEMBL1200474 |
DTXSID0045252 |
HMS1570G08 |
HMS1920C20 |
Pharmakon1600-01500226 |
Demeclocycline hydrochloride (USP) |
(4S,4aS,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrochloride |
EBD31499 |
REGID_for_CID_54686764 |
Tox21_110354 |
Tox21_500421 |
NSC756708 |
s4279 |
AKOS015965080 |
Tox21_110354_1 |
CCG-212562 |
LP00421 |
NSC 756708 |
NSC-756708 |
NCGC00162149-07 |
NCGC00261106-01 |
2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-, monohydrochloride, (4S,4aS,5aS,6S,12aS)- |
2-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-, monohydrochloride, (4S-(4alpha,4aalpha,5aalpha,6beta,12aalpha))- |
HY-17560 |
EU-0100421 |
Demethylchlortetracycline hydrochloride (JP17) |
D 6140 |
D00290 |
W16711 |
064D733 |
A867835 |
SR-01000075825-1 |
SR-01000075825-5 |
W-109265 |
Demeclocycline hydrochloride, >=90% (HPLC), powder |
Q27887536 |
Demeclocycline hydrochloride, Antibiotic for Culture Media Use Only |
Demeclocycline hydrochloride, European Pharmacopoeia (EP) Reference Standard |
Demeclocycline for system suitability, EuropePharmacopoeia (EP) Reference Standard |
Demeclocycline HCl, Pharmaceutical Secondary Standard; Certified Reference Material |
Demeclocycline hydrochloride, United States Pharmacopeia (USP) Reference Standard |
(4S,4aS,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide,hydrochloride |
(4S,4AS,5AS,6S,12AS)-7-CHLORO-4-(DIMETHYLAMINO)-3,6,10,12,12A-PENTAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE HCL |
4S-(4alpha,4aalpha,5aalpha,6beta,12aalpha)-7-chloro-4-(dimethylamino)1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-2-naphthacenecarboxamide hydrochloride |
Experimental Data
DEMECLOCYCLINE 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 | 16 | S | N2 | 33683565 | Active | ||||||
| Caenorhabditis elegans | 33 | umol/L | 16 | S | N2 | 24134630 | Active |
Experimental Data Visualization
DEMECLOCYCLINE HYDROCHLORIDE
Statistics Data
DEMECLOCYCLINE HYDROCHLORIDE
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 16 | 2 | 2 |
Statistics Data Visualization
DEMECLOCYCLINE HYDROCHLORIDE
