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Tei-1194

CAT: 0013-GTR19241625-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241625-02Size:10 mg
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Description
Tei-1194 is a semi-synthetic penicillin derivative exhibiting broad-spectrum antibacterial activity in vitro. It is a research tool for studying antibiotic mechanisms and bacterial resistance, with applications in microbiology and pharmacology research.
CAS Number
67609-13-6
Smiles
O=C (C1=CC2=CC=CC=C2OC1=O) N[C@H] (C3=CC=CC=C3) C (N[C@H]4[C@]5 ([H]) N (C4=O) [C@H] (C (C) (S5) C) C ([O-]) =O) =O.[Na+]
Molecular Formula
C26H22N3NaO7S
Molecular Weight
543.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tei-1194

semisynthetic penicillin derivative with broad spectrum of in vitro antibacterial activities; structure in first source

CAS Number67609-13-6
PubChem CID23695966
IUPAC Namesodium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[2-[(2-oxochromene-3-carbonyl)amino]-2-phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Molecular FormulaC26H22N3NaO7S
Molecular Weight543.5
Topological Polar Surface Area170
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count38
Formal Charge0
Complexity1040
SMILES
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)C4=CC5=CC=CC=C5OC4=O)C(=O)[O-])C.[Na+]
InChI
InChI=1S/C26H23N3O7S.Na/c1-26(2)19(24(33)34)29-22(32)18(23(29)37-26)28-21(31)17(13-8-4-3-5-9-13)27-20(30)15-12-14-10-6-7-11-16(14)36-25(15)35;/h3-12,17-19,23H,1-2H3,(H,27,30)(H,28,31)(H,33,34);/q;+1/p-1/t17?,18-,19+,23-;/m1./s1
InChIKey
QYUAOCSKKNENTB-DYRBKQTRSA-M
Chemical Structure
2D Structure
2D structure of Tei-1194
CAS: 67609-13-6
CID: 23695966
Formula: C26H22N3NaO7S
MW: 543.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight543.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass543.10761550
Monoisotopic Mass543.10761550
Topological Polar Surface Area170 Ų
Heavy Atom Count38
Formal Charge0
Complexity1040
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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