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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

1 KDMF

1 KDMF

Synopsis

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Chemistry

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Also known as: Fortimicin a sulfate, Abbott-44747, Fortimicin a sulphate, Astromicin sulphate, Poy3s0t3bd, Fortimicin a

Molecular Formula

C₁₇H₃₉N₅O₁₄S₂

Molecular Weight

601.7 g/mol

InChI Key

TYNZVWXDLOJTIM-QQFWICJTSA-N

FDA UNII

POY3S0T3BD

Astromicin Sulfate is the sulfate salt form of astromicin, an aminoglycoside antibiotic isolated from Micromonospora olivasterospora with antibacterial activity. Astromicin contains an epi-purpurosamine disaccharide backbone.

1 2D Structure

Astromicin Sulfate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-amino-N-[(1S,2R,3R,4S,5S,6R)-4-amino-3-[(2R,3R,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-yl]oxy-2,5-dihydroxy-6-methoxycyclohexyl]-N-methylacetamide;sulfuric acid

2.1.2 InChI

InChI=1S/C17H35N5O6.2H2O4S/c1-7(19)9-5-4-8(20)17(27-9)28-15-11(21)13(24)16(26-3)12(14(15)25)22(2)10(23)6-18;2*1-5(2,3)4/h7-9,11-17,24-25H,4-6,18-21H2,1-3H3;2*(H2,1,2,3,4)/t7-,8+,9-,11-,12-,13-,14+,15+,16+,17+;;/m0../s1

2.1.3 InChI Key

TYNZVWXDLOJTIM-QQFWICJTSA-N

2.1.4 Canonical SMILES

CC(C1CCC(C(O1)OC2C(C(C(C(C2O)N(C)C(=O)CN)OC)O)N)N)N.OS(=O)(=O)O.OS(=O)(=O)O

2.1.5 Isomeric SMILES

C[C@@H]([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H]([C@@H]([C@@H]([C@H]([C@H]2O)N(C)C(=O)CN)OC)O)N)N)N.OS(=O)(=O)O.OS(=O)(=O)O

2.2 Other Identifiers

2.2.1 UNII

POY3S0T3BD

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Abbott 44747

2. Astromicin

3. Fortimicin A

4. Fortimicin A Sulfate

5. Fortimicin A Sulfate (1:2)

6. Kw1070

2.3.2 Depositor-Supplied Synonyms

1. Fortimicin A Sulfate

2. Abbott-44747

3. Fortimicin A Sulphate

4. Astromicin Sulphate

5. Poy3s0t3bd

6. Fortimicin A

7. 72275-67-3

8. Xk 70-1 Sulfate

9. Kw-1070 Sulfate

10. Abbott 44747

11. Unii-poy3s0t3bd

12. Astromicin Sulfate [usan:jan]

13. Astromycin Sulfate

14. Fortimicin (tn)

15. Astromicin Sulfate (jan/usan)

16. Astromicin Sulfate [jan]

17. Chembl3989466

18. Chebi:31242

19. Astromicin Sulfate [usan]

20. Astromicin Sulfate [mart.]

21. Astromicin Sulfate [who-dd]

22. 4-amino-1-(2-amino-n-methylacetamido)-1,4-dideoxy-3-o-(2,6-diamino-2,3,4,6,7-pentadeoxy-beta-l-lyxo-heptopyranosyl)-6-o-methyl-l-chiro-inositol Sulfate (1:2) (salt)

23. D01881

24. Q27286677

25. 4-amino-1-(2-amino-n-methylacetamido)-1,4-dideoxy-3-o-(2,6-diamino-2,3,4,6,7-pentadeoxy-.beta.-l-lyxo-heptopyranosyl)-6-o-methyl-l-chiro-inositol Sulfate (1:2) (salt)

26. 4-amino-1-(2-amino-n-methylacetamido)-1,4-dideoxy-3-o-(2,6-diamino-2,3,4,6,7-pentadeoxy-.beta.-l-lyxo-heptopyranosyl)-6-o-methyl-l-chiro-inositol Sulphate (1:2) (salt)

27. L-chiro-inositol, 4-amino-1-((aminoacetyl)methylamino)-1,4-dideoxy-3-o-(2,6-diamino-2,3,4,6,7-pentadeoxy-.beta.-l-lyxo-heptopyranosyl)-6-o-methylsulfate (1:2) (salt)

28. L-chiro-inositol, 4-amino-1-((aminoacetyl)methylamino)-1,4-dideoxy-3-o-(2,6-diamino-2,3,4,6,7-pentadeoxy-.beta.-l-lyxo-heptopyranosyl)-6-o-methylsulphate (1:2) (salt)

29. L-chiro-inositol, 4-amino-1-((aminoacetyl)methylamino)-1,4-dideoxy-3-o-(2,6-diamino-2,3,4,6,7-pentadeoxy-beta-l-lyxo-heptopyranosyl)-6-o-methyl-, Disulfate

30. L-chiro-inositol, 4-amino-1-((aminoacetyl)methylamino)-1,4-dideoxy-3-o-(2,6-diamino-2,3,4,6,7-pentadeoxy-beta-l-lyxo-heptopyranosyl)-6-o-methylsulfate (1:2) (salt)

2.4 Create Date

2014-02-14

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₃₉N₅O₁₄S₂
Molecular Weight	601.7 g/mol
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	18
Rotatable Bond Count	6
Exact Mass	601.19349328 g/mol
Monoisotopic Mass	601.19349328 g/mol
Topological Polar Surface Area	359 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	610
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3