Mrv0541 02231214592D          

 34 37  0  0  1  0            999 V2000
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M  END
> <DATABASE_ID>
DB00759

> <DATABASE_NAME>
drugbank

> <SMILES>
[H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C)C(=O)C1=C(O)C=CC=C1[C@@]3(C)O

> <INCHI_IDENTIFIER>
InChI=1S/C22H24N2O8/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)/t9-,10-,15-,21+,22-/m0/s1

> <INCHI_KEY>
OFVLGDICTFRJMM-WESIUVDSSA-N

> <FORMULA>
C22H24N2O8

> <MOLECULAR_WEIGHT>
444.4346

> <EXACT_MASS>
444.153265754

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
56

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-0.32129530642807813

> <JCHEM_AVERAGE_POLARIZABILITY>
42.897711206387584

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide

> <ALOGPS_LOGP>
-0.56

> <JCHEM_LOGP>
-3.492667918322273

> <ALOGPS_LOGS>
-2.52

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.362257649392889

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.256569168998453

> <JCHEM_PKA_STRONGEST_BASIC>
9.253663980749181

> <JCHEM_POLAR_SURFACE_AREA>
181.61999999999998

> <JCHEM_REFRACTIVITY>
114.1883

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.33e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00759

> <SECONDARY_ACCESSION_NUMBERS>
APRD00572

> <DRUG_GROUPS>
approved; vet_approved; withdrawn

> <GENERIC_NAME>
Tetracycline

> <SYNONYMS>
(4S,4aS,5aS,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide; Abramycin; Anhydrotetracycline; Deschlorobiomycin; Tetracyclin; Tétracycline; Tetracycline; Tetracyclinum; Tetrazyklin; Tsiklomitsin

> <PRODUCTS>
APT T3X Tetracycline Hydrochloride First Aid Antibiotic; Abrasa; Achromycin Ont Oph 1%; Achromycin V; Achromycin V Cap 250mg; Acnecycline; Actisite; Anistem; Apo Tetra Tabs 250mg; BWell First Aid Antibiotic; Bismuth Subcitrate Potassium, Metronidazole and Tetracycline Hydrochloride; Bismuth Subcitrate Potassium, Metronidazole, and Tetracycline Hydrochloride; Bismuth Subsalicylate/Metronidazole/Tetracycline Hydrochloride; Bismuth subcitrate potassium, Metronidazole, Tetracycline hydrochloride; Dermacline; Diabecline; Dyabetex; FIRST Marys Mouthwash Compounding; HELIDAC Therapy; Jaa Tetra Tab 250mg; MeaStem First Aid and Antibiotic; Medicycline Cap 250mg; Microbe Carbon Clear; Novo-tetra 250mg; Novo-tetra Sus 125mg/5ml; Nu-tetra Capsules 250mg; Pylera; Sumycin; TETRACYTE TOPICAL - tetracycline hydrochloride; TETRACYTE TOPICAL tetracycline hydrochloride; Tetra Now 3%; Tetra-abc; TetraNext; TetraStem; Tetracycline; Tetracycline 1% Ophthalmic Ointment; Tetracycline 3 percent a First Aid Antibiotic; Tetracycline Cap 250mg; Tetracycline Hydrochloride; Tetracycline-ABC; Tetracyn Cap 250mg; Tetracyte Topical; Viabecline; Viabecline First Aid Antibiotic; Vitastem; Vitastem-tetracycline hydrochloride

> <INTERNATIONAL_BRANDS>
Achromycin; Liquamycin

> <SALTS>
Tetracycline hydrochloride; Tetracycline phosphate

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