Spectinomycin Sulfate Tetrahydrate
Basic information
- CAS
64058-48-6- Standard SMILES
CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@@]3(O)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O.O.O.O.O.O=S(=O)(O)O- InChIKey
OBZDRKHRQYPQDZ-SACNDDTHSA-N- Molecular formula
- C14H34N2O15S
- Average molar mass
- 502.5 g/mol
- Monoisotopic mass
- 502.16798956
Overview
Spectinomycin Sulfate Tetrahydrate is the tetrahydrate sulfate salt form of spectinomycin, an aminocyclitol aminoglycoside antibiotic derived from Streptomyces spectabilis with bacteriostatic activity. Spectinomycin binds to the bacterial 30S ribosomal subunit. As a result, this agent interferes with the initiation of protein synthesis and with proper protein elongation. This eventually leads to bacterial cell death.
Names & identifiers
- Preferred name
- Spectinomycin Sulfate Tetrahydrate
- IUPAC
- sulfuric acid;(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;tetrahydrate
- English name
- Spectinomycin sulfate tetrahydrate
- Molecular formula
- C14H26N2O11S
- Molecular weight
- 430.43
Names & synonyms
Spectinomycin sulfate tetrahydrateTrobicin sulfateSpectinomycin, tetrahydrate, sulfateActinospectacin, tetrahydrate, sulfateSpectinomycin, sulfate, tetrahydrateU 18409EUNII-YS91P54918Adspec Sterile SolutionYS91P54918ACTINOSPECTACIN SULFATE TETRAHYDRATEESPECTINOMICINA SULFATE TETRAHYDRATEACTINOSPECTACIN SULPHATE TETRAHYDRATE
Show more names
SPECTINOMYCIN SULFATESPECTINOMYCIN SULPHATEU-18409ECTK8G3179SPECTINOMYCINHCLSulfate tetrahydrateU 18409E, ANTIBIOTICSpectinomycin sulfate tetrahydrat
ESPECTINOMICINA SULPHATE TETRAHYDRATE4H-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)-, SULFATE, HYDRATE, (1:1:4)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)-, SULPHATE, HYDRATE, (1:1:4)RefChem:57029(2R-(2alpha,4Abeta,5Abeta,6beta,7beta,8beta,9alpha,9Aalpha,10Abeta))-DECAHYDRO-4A,7,9-TRIHYDROXY-2-METHYL-6,8-BIS(METHYLAMINO)-4H-PYRANO(2,3-B)(1,4)BENZODIOXIN-4-ONE SULFATE TETRAHYDRATE(2R-(2alpha,4Abeta,5Abeta,6beta,7beta,8beta,9alpha,9Aalpha,10Abeta))-DECAHYDRO-4A,7,9-TRIHYDROXY-2-METHYL-6,8-BIS(METHYLAMINO)-4H-PYRANO(2,3-B)(1,4)BENZODIOXIN-4-ONE SULPHATE TETRAHYDRATE64058-48-6Spectinomycin (sulfate hydrate)
Properties
Computed structural properties
- Topological polar surface area
- 216 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 2
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 559
Experimental & physicochemical properties
Animal DrugsFDA approved animal drugs -> Active ingredient
Physicochemical properties
- Melting point
- 185 ° · ~185° (dec)
- alpha
- 25 · D25 +17.0° (c = 1 in water)
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Water (Slightly)
- pka
- 1 · pKa1 7.00, pKa2 8.75(at 25℃)
- color
- White
- FDA UNII
- 91 P54918 · YS91P54918
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 301 · P301+P312+P330
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (75.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 122 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (75.4%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P301+P312+P330
Chemistry & industry
Applications
UsesSpectinomycin Sulfate Tetrahydrate (cas# 64058-48-6) is a compound useful in organic synthesis.
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Compound notes
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