Spectinomycin Sulphate

Synopsis, Chemistry

APIs // Active Pharmaceutical Ingredients

2 API Suppliers, 1 CEP/COS, 1 Listed Suppliers

DOSSIERs // Finished Dosage Formulations

1 Dossiers, 1 Listed Dossiers

Product Search

API SUPPLIERS

API Suppliers

US DMFs Filed

CEP/COS Certifications

JDMFs Filed

EU WC

Listed Suppliers

API REF. PRICE (USD / KG)

API Market Place

INTERMEDIATES

DOSSIERS // FDF

USA (Orange Book)

Europe

Canada

Australia

South Africa

Uploaded Dossiers

GLOBAL SALES (USD Million)

U.S. Medicaid

Annual Reports

FDF Market Place

EXCIPIENTS

PATENTS & EXCLUSIVITIES

USFDA Orange Book Patents

USFDA Exclusivities

DIGITAL CONTENT

Blog #PharmaFlow

News

REF STANDARD

EDQM

USP

Other Listed Suppliers

SERVICES

Also known as: 23312-56-3, Spectinomycin sulphate, Actinospectacin, Trobicin, Bz0h4tlf9x, Nsc100859

Molecular Formula

C₁₄H₂₆N₂O₁₁S

Molecular Weight

430.43 g/mol

InChI Key

XGBFWQUQYQIFLB-MTTMTQIXSA-N

FDA UNII

BZ0H4TLF9X

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

1 2D Structure

Spectinomycin Sulphate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C14H24N2O7.H2O4S/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;1-5(2,3)4/h5,7-13,15-16,18-20H,4H2,1-3H3;(H2,1,2,3,4)/t5-,7-,8+,9+,10+,11-,12-,13+,14+;/m1./s1

2.1.3 InChI Key

XGBFWQUQYQIFLB-MTTMTQIXSA-N

2.1.4 Canonical SMILES

CC1CC(=O)C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC)O)O.OS(=O)(=O)O

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.OS(=O)(=O)O

2.2 Other Identifiers

2.2.1 UNII

BZ0H4TLF9X

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. Spectinomycin Hydrochloride

14. Stanilo

15. Trobicin

2.3.2 Depositor-Supplied Synonyms

1. 23312-56-3

2. Spectinomycin Sulphate

3. Actinospectacin

4. Trobicin

5. Bz0h4tlf9x

6. Nsc100859

7. Xk 43-1

8. 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

9. U 18409

10. Unii-bz0h4tlf9x

11. Togamycin Sulfate (1:1)

12. Einecs 245-578-7

13. Mfcd00270185

14. Actinospectacin Sulfate

15. Schembl134977

16. Actinospectacin Sulphate

17. Chembl1969020

18. Dtxsid40945986

19. Yaa31256

20. Nsc-100859

21. Q-201733

22. Q27274974

23. (2r-(2.alpha.,4a.beta.,5a.beta.,6.beta.,7.beta.,8.beta.,9.alpha.,9a.alpha.,10a.beta.))-decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-4h-pyrano(2,3-b)(1,4)benzodioxin-4-one Sulfate

24. (2r-(2.alpha.,4a.beta.,5a.beta.,6.beta.,7.beta.,8.beta.,9.alpha.,9a.alpha.,10a.beta.))-decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-4h-pyrano(2,3-b)(1,4)benzodioxin-4-one Sulphate

25. 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)-, Sulfate (1:1)

26. 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 (1:1)

27. 4h-pyrano(2,3-b)(1,4)benzodioxin-4-one, Decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, Sulfate (1:1) (salt)

28. 4h-pyrano(2,3-b)(1,4)benzodioxin-4-one, Decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, Sulphate (1:1) (salt)

29. 4h-pyrano[2,4]benzodioxin-4-one, Decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, [2r-(2.alpha.,4a.beta.,5a.beta.,6.beta.,7.beta.,8.beta.,9.alpha.,9a.alpha.,10a.beta.)]-, Sulfate (1:1) (salt)

30. Sulfuric Acid--4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4h-pyrano[2,3-b][1,4]benzodioxin-4-one (1/1)

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₂₆N₂O₁₁S
Molecular Weight	430.43 g/mol
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	2
Exact Mass	430.12573082 g/mol
Monoisotopic Mass	430.12573082 g/mol
Topological Polar Surface Area	213 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	559
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2