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Technical details about Spectinomycin HCl, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: Spectinomycin hcl, 22193-75-5, Spectinomycin monohydrochloride, 22189-32-8, Hl7kc2yv22, Spectinomycin dihydrochloride
Molecular Formula
C14H25ClN2O7
Molecular Weight
368.81  g/mol
InChI Key
BIPVCOUVVAMJMZ-MTTMTQIXSA-N
FDA UNII
HL7KC2YV22

An antibiotic produced by Streptomyces spectabilis. It is active against gram-negative bacteria and used for the treatment of gonorrhea.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 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;hydrochloride
2.1.2 InChI
InChI=1S/C14H24N2O7.ClH/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;1H/t5-,7-,8+,9+,10+,11-,12-,13+,14+;/m1./s1
2.1.3 InChI Key
BIPVCOUVVAMJMZ-MTTMTQIXSA-N
2.1.4 Canonical SMILES
CC1CC(=O)C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC)O)O.Cl
2.1.5 Isomeric 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
2.2 Other Identifiers
2.2.1 UNII
HL7KC2YV22
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Actinospectacin

2. Adspec

3. Ferkel Spectam

4. Kempi

5. Prospec

6. Salmosan T

7. Salmosan-t

8. Spectam

9. Spectam, Ferkel

10. Spectinomycin

11. Spectinomycin Dihydrochloride, Anhydrous

12. Spectinomycin Dihydrochloride, Pentahydrate

13. Stanilo

14. Trobicin

2.3.2 Depositor-Supplied Synonyms

1. Spectinomycin Hcl

2. 22193-75-5

3. Spectinomycin Monohydrochloride

4. 22189-32-8

5. Hl7kc2yv22

6. Spectinomycin Dihydrochloride

7. Actinospectacin

8. (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

9. 21736-83-4

10. Spectinomycindihydrochloride

11. M-141

12. Nsc-132679

13. Nsc 132679

14. 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)-

15. Unii-hl7kc2yv22

16. Schembl41043

17. Chembl1200407

18. Pharmakon1600-01500538

19. Nsc757319

20. Akos016339658

21. Ks-1390

22. Ncgc00180937-01

23. (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 Monohydrochloride

24. (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, Chloride

25. 695s778

26. 4h-pyrano(2,3-b)(1,4)benzodioxin-4-one, Decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, Monohydrochloride, (2r-(2.alpha.,4a.beta.,5a.beta.,6.beta.,7.beta.,8.beta.,9.alpha.,9a.alpha.,10a.beta.))-

27. 4h-pyrano(2,3-b)(1,4)benzodioxin-4-one, Decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, Monohydrochloride, (2r-(2alpha,4abeta,5abeta,6beta,7beta,8beta,9alpha,9aalpha,10abeta))-

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 368.81 g/mol
Molecular Formula C14H25ClN2O7
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass368.1350288 g/mol
Monoisotopic Mass368.1350288 g/mol
Topological Polar Surface Area130 Ų
Heavy Atom Count24
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 Count2
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Anti-Bacterial Agents

Substances that inhibit the growth or reproduction of BACTERIA. (See all compounds classified as Anti-Bacterial Agents.)


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