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Talampicillin (hydrochloride)

CAT: 0804-HY-118456ASize: 1 EachDry Ice: NoHazardous: No
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Description
Talampicillin (hydrochloride) is a ampicillin derivative. Talampicillin (hydrochloride) is a thiazolide carboxylic ester of ampicillin. Talampicillin (hydrochloride) can be studied in research on urinary infection[1].
CAS Number
39878-70-1
UNSPSC
12352005
Hazard Statement
H315-H317-H319-H334-H335
Target
Bacterial; Drug Derivative
Related Pathways
Anti-infection; Others
Applications
COVID-19-immunoregulation
Field of Research
Infection
Smiles
O=C(OC1OC(C2=C1C=CC=C2)=O)[C@H](N3C4=O)C(C)(S[C@@]3([C@@H]4NC(C(C5=CC=CC=C5)N)=O)[H])C.Cl
Molecular Formula
C24H24ClN3O6S
Molecular Weight
517.98
Precautions
P261-P264-P271-P272-P280-P284-P302+P352-P304+P340-P305+P351+P338-P362+P364-P403+P233-P405-P501
References & Citations
[1]Leigh, D. A., et al., (1976) . Talampicillin: a new derivative of ampicillin. British medical journal, 1 (6022), 1378-1380.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Talampicillin Hydrochloride

See also: Ampicillin (has active moiety); Talampicillin (broader).

CAS Number39878-70-1
PubChem CID71446
IUPAC Name(3-oxo-1H-2-benzofuran-1-yl) (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydrochloride
Molecular FormulaC24H24ClN3O6S
Molecular Weight518.0
Topological Polar Surface Area153
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity875
SMILES
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)OC4C5=CC=CC=C5C(=O)O4)C.Cl
InChI
InChI=1S/C24H23N3O6S.ClH/c1-24(2)17(22(31)33-23-14-11-7-6-10-13(14)21(30)32-23)27-19(29)16(20(27)34-24)26-18(28)15(25)12-8-4-3-5-9-12;/h3-11,15-17,20,23H,25H2,1-2H3,(H,26,28);1H/t15-,16-,17+,20-,23?;/m1./s1
InChIKey
PAZSYTCTHYSIAO-WVFSJLEKSA-N
Chemical Structure
2D Structure
2D structure of Talampicillin Hydrochloride
CAS: 39878-70-1
CID: 71446
Formula: C24H24ClN3O6S
MW: 518.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight518.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass517.1074344
Monoisotopic Mass517.1074344
Topological Polar Surface Area153 Ų
Heavy Atom Count35
Formal Charge0
Complexity875
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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