Basic information
- CAS
21736-83-4- 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.Cl- InChIKey
BIPVCOUVVAMJMZ-MTTMTQIXSA-N- Molecular formula
- C14H25ClN2O7
- Average molar mass
- 368.81 g/mol
- Monoisotopic mass
- 368.1350288
Overview
See also: Spectinomycin (annotation moved to).
Names & identifiers
- Preferred name
- Actinospectacin
- IUPAC
- (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;hydrochloride
- English name
- Spectinomycin dihydrochloride
- Molecular formula
- C14H24N2O7.2ClH
- Molecular weight
- 405.27
Names & synonyms
actinospectacinRefChem:5529018,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo(8.4.0.03,8)tetradecan-7-one8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-one22193-75-5Spectinomycin monohydrochlorideHL7KC2YV22Trobicin(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;hydrochloride(8S,11S,13S,14S,1R,3R,6R,10R,12R)-12,14-bis(methylamino)-3,11,13-trihydroxy-6- methyl-2,7,9-trioxatricyclo[8.4.0.0<3,8>]tetradecan-4-one, chlorideNSC-132679NSC 132679
Show more names
SPECTINOMYCIN HYDROCHLORIDEGentamicin hydrochlorideM 141staniloU-18409AENSC 248616SpectacomycinSPECTINOMYCIN 2HCLSPECTINOMYCIN DIHYDROCSpectinomycin (50mg/ml)
UNII-HL7KC2YV22SCHEMBL41043CHEMBL1200407BIPVCOUVVAMJMZ-MTTMTQIXSA-NPharmakon1600-01500538EBC-28067NSC757319AKOS016339658
Properties
Computed structural properties
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 478
Physicochemical properties
- Melting point
- 194 °C · 194°C
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- 2 O: · H2O: 50 mg/mL, clear, faintly yellow
- form
- powder
- color
- White to Off-White
- InChIKey
- BIPVCOUVVAMJMZ-CEDDKZKHNA-N
- SMILES
- N([C@H]1[C@H]([C@@H](NC)[C@H](O)[C@@]2([H])O[C@]3([H])O[C@H](C)CC(=O)[C@]3(O)O[C@]12[H])O)C.Cl |&1:1,2,3,6,8,11,14,19,22,r|
- FDA UNII
- 296 JEI210Z · 296JEI210Z
- UNSPSC Code
- 12352207 · 12352207
- NACRES
- 76 · NA.76
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Danger
- Hazard statements
- 334 · H334-H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P261-P285-P304+P341-P342+P311-P501
- WGK Germany
- 2 · 2
- RTECS
- 7400000 · WG7400000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 10
- wgk
- 2
- rtecs
- WG7400000
- Toxicity
- monkey,LD50,oral,500mg/kg (500mg/kg),Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 7, Pg. 100, 1965.
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H334-H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P261-P285-P304+P341-P342+P311-P501
Chemistry & industry
Uses & manufacturing
Use ClassificationVeterinary Drug -> ANTIMICROBIAL_AGENT -> JECFA Functional Classes
Applications
UsesSPECTINOMYCIN DIHYDROCHLORIDE is an antibiotic used in the treatment and control of infectious bacterial enteritis in animals. Used in drug testing against nonreplicating mycobacterium tuberculosis.
UsesAntibacterial;Ribosomal protein
Upstream & downstream products
Upstream raw materials
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
湖北金梭生物科技有限公司00123456789 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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