Compound: Spectinomycin
SMILES: O=C1[C@@]2(O[C@H]3[C@@H]([C@@H](O)[C@H](NC)[C@@H]([C@@H]3NC)O)O[C@@H]2O[C@@H](C1)C)O
InChIKey: UNFWWIHTNXNPBV-WXKVUWSESA-N
Synonyms: Spectinomycin, Espectinomicina, 1695-77-8, Togamycin, Antibiotic 2233wp, Spectinomycine, Spectinomycinum, Prospec, Adspec, M-141, U 18409 E, 93AKI1U6QF, Spectinomicina, CHX-3101, U-18409E, CHEBI:9215, DTXSID9023592, 4H-Pyrano(2,3-b)(1,4)benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, 4H-Pyrano(2,3-b)(1,4)benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-, 4H-Pyrano[2,3-b][1,4]benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-, Salmosan T, Spectam, Ferkel, Spectam Injectable, Spectam Scour-Halt, (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, (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, SpectoGard Scour-Chek, RefChem:184582, DTXCID803592, SpectoGard Water Soluble Powder, J01XX04, 4H-Pyrano(2,3-b)(1,4)benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, (2R-(2alpha,4abeta,5abeta,6beta,7beta,8beta,9alpha,9aalpha,10abeta))-, 216-911-3, Spectam, Trobicin, Spectinomicina [Italian], Actinospectacina [Italian], Spectinomycine [INN-French], Spectinomycinum [INN-Latin], Espectinomicina [INN-Spanish], (1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-one, SCM, Spectinomycin (INN), Actinospectacina, SPECTINOMYCIN [INN], M 141, U 18409, Spectinomycin [INN:BAN], (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one, (2r,4ar,5ar,6s,7s,8r,9s,9ar,10as)-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)octahydro-2h-benzo[b]pyrano[2,3-e][1,4]dioxin-4(3h)-one, XK 43-1, EINECS 216-911-3, UNII-93AKI1U6QF, Spectinomycin HCl/ Sulphate, BRN 2171701, SR-05000001868, (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-3,5a,6,7,8,9,9a,10a-octahydro-2H-benzo[[?]]pyrano[[?]][1,4]dioxin-4-one, Prospec (TN), Adspec (TN), NSC132679, Spectrum_000954, Prestwick0_000804, Prestwick1_000804, Prestwick2_000804, Prestwick3_000804, Spectrum2_001315, Spectrum3_000898, Spectrum4_000993, Spectrum5_001407, SPECTINOMYCIN [MI], SCHEMBL3533, CHEMBL1167, BSPBio_000667, KBioGR_001425, KBioSS_001434, SPECTINOMYCIN [VANDF], DivK1c_000137, SPECTINOMYCIN [MART.], SPBio_001409, SPBio_002588, SPECTINOMYCIN [WHO-DD], BPBio1_000735, orb1982111, Actinospectacin; Antibiotic 2233wp; Espectinomicina;Togamycin; Trobicin, GTPL11127, KBio1_000137, KBio2_001434, KBio2_004002, KBio2_006570, KBio3_001816, NINDS_000137, HMS2089C03, SPECTINOMYCIN [GREEN BOOK], HY-B1828, EBC-26619, AKOS015961272, CCG-208273, DB00919, IDI1_000137, SMP1_000276, NCGC00017354-02, NCGC00017354-03, NCGC00017354-04, NCGC00142531-01, NCGC00142531-02, AC-13570, NCI60_000023, ST066911, SBI-0051514.P003, CS-0013897, C02078, D08526, H59292, U18409, AB00642548-10, AB00642548-11, AB00642548_12, AB00642548_13, Q416154, U-18409, ACTINOSPECTACIN; ESPECTINOMICINA; CHX-3101, SR-05000001868-4, BRD-K11905747-300-08-9, BRD-K11905747-300-09-7, BRD-K11905747-300-10-5, (2R-(2.ALPHA.,4A.BETA.,5A.BETA.,6.BETA.,7.BETA.,8.BETA.,9.ALPHA.,9A.ALPHA.,10A.BETA.))-DECAHYDRO-4A,7,9-TRIHYDROXY-2-METHYL-6,8-BIS(METHYLAMINO)-4H-PYRANO(2,3-B)(1,4)BENZODIOXIN-4-ONE, (8S,11S,13S,14S,3R,6R,10R,12R)-12,14-bis(methylamino)-3,11,13-trihydroxy-6-met hyl-2,7,9-trioxatricyclo[8.4.0.0<3,8>]tetradecan-4-one
Theoretical properties:
molecular_formula: C14H24N2O7
molecular_weight: 332.35 g/mol
exact_mass: 332.15835111 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 5
hydrogen_bond_acceptor_count: 9
rotatable_bond_count: 2
heavy_atom_count: 23
topological_polar_surface_area: 130 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
solubility: Easily soluble in cold water
Descriptions:
pubchem: Spectinomycin is a pyranobenzodioxin and antibiotic that is active against gram-negative bacteria and used (as its dihydrochloride pentahydrate) to treat gonorrhea. It is produced by the bacterium Streptomyces spectabilis. It has a role as an antimicrobial agent, an antibacterial drug and a bacterial metabolite. It is a pyranobenzodioxin, a secondary alcohol, a cyclic ketone, a secondary amino compound, a cyclic acetal and a cyclic hemiketal. It is a conjugate base of a spectinomycin(1+) and a spectinomycin(2+).
chebi: A pyranobenzodioxin and antibiotic that is active against gram-negative bacteria and used (as its dihydrochloride pentahydrate) to treat gonorrhea. It is produced by the bacterium <em>Streptomyces spectabilis</em>.
chembl: SPECTINOMYCIN is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Spectinomycin, sold under the tradename Trobicin among others, is an antibiotic useful for the treatment of gonorrhea infections. It is given by injection into a muscle.
Common side effects include pain at the area of injection, rash, nausea, fever, and trouble sleeping. Severe allergic reactions may occasionally occur. It is generally safe to use during pregnancy. It may be used by those who are allergic to penicillin or cephalosporins. It is in the aminocyclitol class of drugs and works by stopping the making of protein by certain bacteria.
Spectinomycin was discovered in 1961. It is on the World Health Organization's List of Essential Medicines.  It is not available in the United States for human use. It is made from the bacterium Streptomyces spectabilis.