Spectinomycin hydrochlorideProduct ingredient for Spectinomycin
- Name
- Spectinomycin hydrochloride
- Drug Entry
- Spectinomycin
An antibiotic produced by Streptomyces spectabilis. It is active against gram-negative bacteria and used for the treatment of gonorrhea.
- Accession Number
- DBSALT000380
- Structure
Structure for Spectinomycin hydrochloride (DBSALT000380)
- Synonyms
- Spectinomycin HCl
- UNII
- HL7KC2YV22
- CAS Number
- 22193-75-5
- Weight
- Average: 368.811
Monoisotopic: 368.135028871 - Chemical Formula
- C14H25ClN2O7
- InChI Key
- BIPVCOUVVAMJMZ-MTTMTQIXSA-N
- InChI
- InChI=1S/C14H24N2O7.ClH/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14;/h5,7-13,15-16,18-20H,4H2,1-3H3;1H/t5-,7-,8+,9+,10+,11-,12-,13+,14+;/m1./s1
- IUPAC Name
- (1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.0^{3,8}]tetradecan-7-one hydrochloride
- SMILES
- Cl.[H][C@@]12O[C@H](C)CC(=O)[C@]1(O)O[C@]1([H])[C@@H](NC)[C@@H](O)[C@@H](NC)[C@H](O)[C@@]1([H])O2
- External Links
- PubChem Compound
- 64769
- ChemSpider
- 58303
- ChEMBL
- CHEMBL1200407
- Wikipedia
- Spectinomycin
- Predicted Properties
Property Value Source Water Solubility 150.0 mg/mL ALOGPS logP -1.4 ALOGPS logP -2.2 Chemaxon logS -0.35 ALOGPS pKa (Strongest Acidic) 8.53 Chemaxon pKa (Strongest Basic) 9.23 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 129.51 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 75.44 m3·mol-1 Chemaxon Polarizability 33.37 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon