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Spectinomycin Dihydrochloride

CAT: 0572-TRC-S680250-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-S680250-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
21736-83-4
Synonyms
4H-Pyrano[2,3-b][1,4]benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, hydrochloride (1:2), (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)-, dihydrochloride, (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)- (9CI); 4H-Pyrano[2,3-b][1,4]benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, dihydrochloride, [2R-(2α,4aβ,5aβ,6β,7β,8β,9α,9aα,10aβ)]- (8CI); (+)-Spectinomycin dihydrochloride; NSC 248616; Spectinomycin dihydrochloride; Spectinomycin hydrochloride; Stanilo
Hazard Statement
May cause allergy or asthma symptoms or breathing difficulties if inhaled
Purity
>95% (HPLC)
Smiles
Cl.Cl.CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3=O)O[C@@H]2[C@H]1O
Molecular Formula
C14 H24 N2 O7 . 2 Cl H
Molecular Weight
405.2714
InChI
InChI=1S/C14H24N2O7.2ClH/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;2*1H/t5-,7-,8+,9+,10+,11-,12-,13+,14+;;/m1../s1
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Spectinomycin Dihydrochloride

Spectinomycin dihydrochloride is a hydrochloride obtained by combining spectinomycin with two molar equivalents of hydrochloric acid. An antibiotic that is active against gram-negative bacteria and used (as its pentahydrate) to treat gonorrhea. It has a role as an antimicrobial agent and an antibacterial drug. It contains a spectinomycin(2+).

CAS Number21736-83-4
PubChem CID64740
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[8.4.0.03,8]tetradecan-7-one;dihydrochloride
Molecular FormulaC14H26Cl2N2O7
Molecular Weight405.3
Topological Polar Surface Area130
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity478
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)O.Cl.Cl
InChI
InChI=1S/C14H24N2O7.2ClH/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;2*1H/t5-,7-,8+,9+,10+,11-,12-,13+,14+;;/m1../s1
InChIKey
FOGDPGQSHLLYIK-XYQGXRRISA-N
Chemical Structure
2D Structure
2D structure of Spectinomycin Dihydrochloride
CAS: 21736-83-4
CID: 64740
Formula: C14H26Cl2N2O7
MW: 405.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight405.3
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass404.1117066
Monoisotopic Mass404.1117066
Topological Polar Surface Area130 Ų
Heavy Atom Count25
Formal Charge0
Complexity478
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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Alternative Products

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B3342-5.1Spectinomycin dihydrochloride
HY-B0438-01Spectinomycin (dihydrochloride)
HY-B1828A-01Spectinomycin (dihydrochloride pentahydrate)
S006-5GSpectinomycin dihydrochloride pentahydrate
HY-B0438R-01Spectinomycin (dihydrochloride) (Standard)

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