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Timentin

CAT: 0926-LDA48218-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0926-LDA48218-01Size:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
86482-18-0
Smiles
CC1 (C (N2C (S1) C (C2=O) NC (=O) C (C3=CSC=C3) C (=O) O) C (=O) O) C.C1C2N (C1=O) C (C (=CCO) O2) C (=O) O
Molecular Formula
C23H25N3O11S2
Molecular Weight
583.6 g/mol
Controlled
No

Chemical Information

Clavulanic acid-ticarcillin mixt.
CAS Number86482-18-0
PubChem CID6437075
IUPAC Name(2S,5R,6R)-6-[[(2R)-2-carboxy-2-thiophen-3-ylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular FormulaC23H25N3O11S2
Molecular Weight583.6
Topological Polar Surface Area265
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Heavy Atom Count39
Formal Charge0
Complexity963
SMILES
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CSC=C3)C(=O)O)C(=O)O)C.C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)O
InChI
InChI=1S/C15H16N2O6S2.C8H9NO5/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6;10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23);1,6-7,10H,2-3H2,(H,12,13)/b;4-1-/t7-,8-,9+,12-;6-,7-/m11/s1
InChIKey
XWMVMWTVLSLJGY-FAJPTIRJSA-N
Chemical Structure
2D Structure
2D structure of Clavulanic acid-ticarcillin mixt.
CAS: 86482-18-0
CID: 6437075
Formula: C23H25N3O11S2
MW: 583.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight583.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Exact Mass583.09305097
Monoisotopic Mass583.09305097
Topological Polar Surface Area265 Ų
Heavy Atom Count39
Formal Charge0
Complexity963
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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T8661-01Timentin (Sterile)
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40110060-4Timentin Solution, 100mg/mL
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