Ceftriaxone

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Systematic / IUPAC Name: 7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

ID: Reference1966

Other Names:

Formula: C18H18N8O7S3

Class: Therapeutics/Prescription Drugs

Spectral Data

Ceftriaxone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP ; Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 3204
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 2/18/2022 1:03:13 PM
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Identificators

InChI InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-
InChI Key VAAUVRVFOQPIGI-GYRAYZOKSA-N
Canonical SMILES CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O
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Other Names

In Other Databases

PubChem 5896995
ChemSpider 4738004