Showing drug card for GENTAMICIN C1A (DB04729)
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| Version | 2.5 |
| Creation Date | 2007-09-11 17:49:32 |
| Update Date | 2008-08-26 15:34:10 |
| Primary Accession Number | DB04729 |
| Secondary Accession Number | Not Available |
| Name | GENTAMICIN C1A |
| Drug Type |
|
| Description | Not Available |
| Synonyms | Not Available |
| Brand Names | Not Available |
| Brand Mixtures | Not Available |
| Chemical IUPAC Name | (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-methylaminooxane-3,5-diol |
| Chemical Formula | C19H39N5O7 |
| Chemical Structure | |
| CAS Registry Number | Not Available |
| InChI Identifier | InChI=1/C19H39N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h8-18,24-27H,3-7,20-23H2,1-2H3/t8-,9+,10-,11+,12-,13+,14+,15-,16+,17+,18+,19-/m0/s1 |
| InChI Key | VEGXETMJINRLTH-BOZYPMBZBY |
| KEGG Drug | Not Available |
| KEGG Compound | Not Available |
| PubChem Compound | 72396  |
| PubChem Substance | 8142724 |
| ChEBI ID | Not Available |
| PharmGKB ID | Not Available |
| HET ID | LLL |
| GenBank ID | Not Available |
| Drug ID Number [DIN] | Not Available |
| RxList Link | Not Available |
| PDRhealth Link | Not Available |
| Wikipedia Link | Not Available |
| FDA Label | Not Available |
| Material Safety Data Sheet (MSDS) | Not Available |
| Synthesis Reference | Not Available |
| Average Molecular Weight | 449.5423 |
| Monoisotopic Molecular Weight | 449.2849 |
| State | Solid |
| Melting Point | Not Available |
| Experimental Water Solubility | Not Available Source: PhysProp |
| Predicted Water Solubility | 2.05e+01 mg/mL Calculated using ALOGPS |
| Experimental LogP/Hydrophobicity | Not Available Source: PhysProp |
| Predicted LogP | -2.24 Calculated using ALOGPS |
| Experimental LogS | Not Available |
| Predicted LogS | -1.34 Calculated using ALOGPS |
| Experimental Caco2 Permeability | Not Available |
| pKa/Isoelectric Point | Not Available |
| Mass Spectrum | Not Available |
| MOL File | Show | Download |
| SDF File | Show | Download |
| PDB File | Show | Download |
| 2D Structure | |
| 3D Structure | |
| Experimental PDB ID | Not Available |
| Isomeric SMILES | CN[C@@H]1[C@@H](O)[C@H](OC[C@]1(C)O)O[C@H]1[C@H](N)C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)CC[C@H]2N)[C@@H]1O |
| Canonical SMILES | CNC1C(O)C(OCC1(C)O)OC1C(N)CC(N)C(OC2OC(CN)CCC2N)C1O |
| Drug Category | Not Available |
| ATC Codes | Not Available |
| AHFS Codes | Not Available |
| Indication | Not Available |
| Pharmacology | Not Available |
| Mechanism of Action | Not Available |
| Absorption | Not Available |
| Toxicity | Not Available |
| Protein Binding | Not Available |
| Biotransformation | Not Available |
| Half Life | Not Available |
| Dosage Forms | Not Available |
| Patient Information | Not Available |
| Contraindications | Not Available |
| Interactions | Not Available |
| Drug Interactions | Not Available |
| Food Interactions | Not Available |
| Pathways | Not Available |
| General References | Not Available |
| Organisms Affected | Not Available |