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Gentamicin C1

CAT: 0804-HY-167256-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-167256-02Size:5 mg
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Description
Gentamicin C1 is a broad-spectrum aminoglycoside antibiotic with antimicrobial activity[1].
CAS Number
25876-10-2
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Antibiotic; Bacterial
Related Pathways
Anti-infection
Field of Research
Infection
Smiles
O[C@@H]([C@@H]([C@H](C[C@H]1N)N)O[C@H]2O[C@](CC[C@H]2N)([H])[C@@H](C)NC)[C@H]1O[C@@H]3[C@@H]([C@H]([C@@](O)(CO3)C)NC)O
Molecular Formula
C21H43N5O7
Molecular Weight
477.60
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Hiie Soeorg, et al. Pharmacokinetics of Gentamicin Components C1, C1a, and C2/C2a/C2b and Subsequent Decline in Glomerular Filtration Rate in Neonates. AAPS J. 2022 Jun 27;24 (4) :77.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Gentamicin C1

gentamicin C1 has been reported in Liquidambar formosana with data available.

CAS Number25876-10-2
PubChem CID72395
IUPAC Name(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-[(1R)-1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
Molecular FormulaC21H43N5O7
Molecular Weight477.6
XLogP-4.1
Topological Polar Surface Area200
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity636
SMILES
C[C@H]([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)NC
InChI
InChI=1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3/t9-,10-,11+,12-,13+,14+,15-,16-,17+,18-,19-,20-,21+/m1/s1
InChIKey
CEAZRRDELHUEMR-CAMVTXANSA-N
Chemical Structure
2D Structure
2D structure of Gentamicin C1
CAS: 25876-10-2
CID: 72395
Formula: C21H43N5O7
MW: 477.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight477.6
XLogP3-4.1
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Exact Mass477.31624873
Monoisotopic Mass477.31624873
Topological Polar Surface Area200 Ų
Heavy Atom Count33
Formal Charge0
Complexity636
Isotope Atom Count0
Defined Atom Stereocenter Count13
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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