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Cytosaminomycin B

CAT: 0804-HY-N14068Size: 1 EachDry Ice: NoHazardous: No
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Description
Cytosaminomycin B has anti-Eimeria Tenella activity[1].
CAS Number
157878-03-0
UNSPSC
12352005
Target
Parasite
Related Pathways
Anti-infection
Field of Research
Infection
Smiles
O=C1N([C@H]2C[C@H]([C@@H]([C@H](O2)C)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C)N(C)C)O)O)O)C=CC(NC(C4=CC=C(C=C4)NC)=O)=N1
Molecular Formula
C26H37N5O8
Molecular Weight
547.60
References & Citations
[1]K Haneda, et al. Cytosaminomycins, new anticoccidial agents produced by Streptomyces sp. KO-8119. I. Taxonomy, production, isolation and physico-chemical and biological properties. J Antibiot (Tokyo) . 1994 Jul;47 (7) :774-81.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Cytosaminomycin B

Cytosaminomycin B is an aminoglycoside.

CAS Number157878-03-0
PubChem CID10325187
IUPAC NameN-[1-[(2R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]-2-oxopyrimidin-4-yl]-4-(methylamino)benzamide
Molecular FormulaC26H37N5O8
Molecular Weight547.6
XLogP0.2
Topological Polar Surface Area165
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count39
Formal Charge0
Complexity939
SMILES
C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H](C[C@H]2O)N3C=CC(=NC3=O)NC(=O)C4=CC=C(C=C4)NC)C)O)O)N(C)C
InChI
InChI=1S/C26H37N5O8/c1-13-20(30(4)5)21(33)22(34)25(38-13)39-23-14(2)37-19(12-17(23)32)31-11-10-18(29-26(31)36)28-24(35)15-6-8-16(27-3)9-7-15/h6-11,13-14,17,19-23,25,27,32-34H,12H2,1-5H3,(H,28,29,35,36)/t13-,14-,17-,19-,20-,21+,22-,23-,25-/m1/s1
InChIKey
UFIWZSNSJFCLAC-KYFRGEGWSA-N
Chemical Structure
2D Structure
2D structure of Cytosaminomycin B
CAS: 157878-03-0
CID: 10325187
Formula: C26H37N5O8
MW: 547.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight547.6
XLogP30.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass547.26421316
Monoisotopic Mass547.26421316
Topological Polar Surface Area165 Ų
Heavy Atom Count39
Formal Charge0
Complexity939
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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