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Azlocillin sodium salt

CAT: 1568-C09197-50mgSize: 50 mgDry Ice: YesHazardous: No
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CAT#:1568-C09197-50mgSize:50 mg
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CAS Number
37091-65-9
Target
Bacterial
Applications
Microbiology
Smiles
CC1 (C (N2C (S1) C (C2=O) NC (=O) C (C3=CC=CC=C3) NC (=O) N4CCNC4=O) C (=O) [O-]) C.[Na+]
Molecular Formula
C20H23N5O6S.Na
Additionnal Information
Azlocillin is an acylampicillin with a broad spectrum against bacteria.
Storage Conditions
2 years -80 in solvent

Chemical Information

Azlocillin Sodium

Azlocillin sodium is an organic sodium salt. It contains an azlocillin(1-).

CAS Number37091-65-9
PubChem CID23685176
IUPAC Namesodium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(2R)-2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Molecular FormulaC20H22N5NaO6S
Molecular Weight483.5
Topological Polar Surface Area176
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity851
SMILES
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)NC(=O)N4CCNC4=O)C(=O)[O-])C.[Na+]
InChI
InChI=1S/C20H23N5O6S.Na/c1-20(2)13(17(28)29)25-15(27)12(16(25)32-20)22-14(26)11(10-6-4-3-5-7-10)23-19(31)24-9-8-21-18(24)30;/h3-7,11-13,16H,8-9H2,1-2H3,(H,21,30)(H,22,26)(H,23,31)(H,28,29);/q;+1/p-1/t11-,12-,13+,16-;/m1./s1
InChIKey
UVOCNBWUHNCKJM-XFAPPKAWSA-M
Chemical Structure
2D Structure
2D structure of Azlocillin Sodium
CAS: 37091-65-9
CID: 23685176
Formula: C20H22N5NaO6S
MW: 483.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight483.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass483.11884889
Monoisotopic Mass483.11884889
Topological Polar Surface Area176 Ų
Heavy Atom Count33
Formal Charge0
Complexity851
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes