Desacetylcephapirin

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Systematic / IUPAC Name: (6R,7R)-3-(Hydroxymethyl)-8-oxo-7-{[(4-pyridinylsulfanyl)acetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

ID: Reference7256

Other Names: (6R,7R)-3-(Hydroxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;
3-(Hydroxymethyl)-8-oxo-7-{[2-(4-pyridylthio)acetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-carboxylic acid ;
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-(hydroxymethyl)-8-oxo-7-{[(4-pyridinylthio)acetyl]amino}-, (6R-trans-)-

Formula: C15H15N3O5S2

Class: Therapeutics/Prescription Drugs

Spectral Data

Desacetylcephapirin 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 Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 189
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/15/2018 8:45:35 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C15H15N3O5S2/c19-5-8-6-25-14-11(13(21)18(14)12(8)15(22)23)17-10(20)7-24-9-1-3-16-4-2-9/h1-4,11,14,19H,5-7H2,(H,17,20)(H,22,23)/t11-,14-/m1/s1
InChI Key IOFHZPVEQXTSQW-BXUZGUMPSA-N
Canonical SMILES C1C(=C(N2C(S1)C(C2=O)NC(=O)CSC3=CC=NC=C3)C(=O)O)CO
CAS
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Other Names (6R,7R)-3-(Hydroxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;
3-(Hydroxymethyl)-8-oxo-7-{[2-(4-pyridylthio)acetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-carboxylic acid ;
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-(hydroxymethyl)-8-oxo-7-{[(4-pyridinylthio)acetyl]amino}-, (6R-trans-)-

In Other Databases

ChemIDPlus 038115218
PubChem 162287
ChemSpider 142511