Molecular Identity
Spectinomycin
(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
PubChem CID: 15541
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+).
2D Structure
Properties
C14H24N2O7
Molecular Formula
332.35
Molecular Weight
g/mol
332.1584
Exact Mass
Da
-3.1
XLogP
Drug-like (Lipinski: < 5)
130
TPSA
Good oral absorption (< 140 A²)
5
H-Bond Donors
9
H-Bond Acceptors
478
Complexity
SMILES
Canonical SMILES
SMILES: CC1CC(=O)C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC)O)OIsomeric SMILES
SMILES: C[C@@H]1CC(=O)[C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)OSynonyms(20)
SpectinomycinEspectinomicina1695-77-8TogamycinAntibiotic 2233wpSpectinomycineSpectinomycinumProspecAdspecM-141U 18409 E93AKI1U6QFSpectinomicinaCHX-3101U-18409E
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Spectinomycin
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