Cefdinir, (E)-
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Basic information
- CAS
178601-88-2- Standard SMILES
C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N/O)c3csc(N)n3)[C@H]2SC1- InChIKey
RTXOFQZKPXMALH-RWFJUVPESA-N- Molecular formula
- C14H13N5O5S2
- Average molar mass
- 395.4 g/mol
- Monoisotopic mass
- 395.03581088
Overview
(6R,7R)-7-[[2-(2-amino-4-thiazolyl)-2-hydroxyimino-1-oxoethyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid is a cephalosporin, a ketoxime and a member of 1,3-thiazoles.
Names & identifiers
- Preferred name
- Cefdinir, (E)-
- IUPAC
- (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- English name
- (Z)-Cefdinir
- Molecular formula
- C14H13N5O5S2
- Molecular weight
- 395.41
Names & synonyms
Cefdinir, E-UNII-61G2M33IGF61G2M33IGFCEFDINIR, (E)-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((2-AMINO-4-THIAZOLYL)(HYDROXYIMINO)ACETYL)AMINO)-3-ETHENYL-8-OXO-, (6R-(6.ALPHA.,7.BETA.(E)))-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((2E)-2-(2-AMINO-4-THIAZOLYL)-2-(HYDROXYIMINO)ACETYL)AMINO)-3-ETHENYL-8-OXO-, (6R,7R)-5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-(hydroxyimino)acetyl]amino]-3-ethenyl-8-oxo-, (6R,7R)-RefChem:200098(6R,7R)-7-((E)-2-(2-AMINOTHIAZOL-4-YL-)-2-(HYDROXYIMINO)ACETAMIDO)-8-OXO-3-VINYL-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((2-AMINO-4-THIAZOLYL)(HYDROXYIMINO)ACETYL)AMINO)-3-ETHENYL-8-OXO-, (6R-(6ALPHA,7BETA(E)))-CEFDINIR IMPURITY G(E)-Cefdinir
Show more names
(Z)-CefdinirCefdinir (E)-IsomerCefdinir Impurity 5Cefdinir CP Impurity RCefdinir (E)-Isomer (USP)
Properties
Computed structural propertiesFilling in
- XLogP
- 0
- Topological polar surface area
- 212 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 739
Experimental & physicochemical properties
Collision Cross Section
190.5 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
184.34 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 129 °C · >129°C (dec.)
- storage temp.
- -20 °C · Amber Vial, -20°C Freezer, Under Inert Atmosphere
- solubility
- Dichloromethane (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Off-White to Beige
- FDA UNII
- 61 G2M33IGF · 61G2M33IGF
Chemistry & industry
Applications
Uses(E)-Cefdinir (Cefdinir EP Impurity R) is a Cefdinir (C242670) impurity. The E-isomer of Cefdinir (C242670).
UsesCefdinir (C242670) impurity. The E-isomer of Cefdinir (C242670).
Additional notes
DefinitionChEBI: (6R,7R)-7-[[2-(2-amino-4-thiazolyl)-2-hydroxyimino-1-oxoethyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid is a cephalosporin, a ketoxime and a member of 1,3-thiazoles.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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