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(E)-Cefixime (Cefixime EP Impurity D)

CAT: 0572-TRC-C242820-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C242820-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
97164-56-2
Synonyms
Cefixime Imp. D (EP), Cefixime (E)-Isomer; 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-[(carboxymethoxy)imino]acetyl]amino]-3-ethenyl-8-oxo-, (6R,7R)-; 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2-amino-4-thiazolyl)[(carboxymethoxy)imino]acetyl]amino]-3-ethenyl-8-oxo-, [6R-[6α,7β(E)]]- (9CI); (6R,7R)-7-[((2E)-2-(2-Amino-4-thiazolyl)-2-[(carboxymethoxy)imino]acetyl)amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
Nc1nc(cs1)\C(=N/OCC(=O)O)\C(=O)N[C@H]2[C@H]3SCC(=C(N3C2=O)C(=O)O)C=C
Molecular Formula
C16 H15 N5 O7 S2
Molecular Weight
453.4496
InChI
InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9+/t10-,14-/m1/s1
Additionnal Information
IUPAC name: (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Cefixime anhydrous, (E)-

(6R,7R)-7-[[2-(2-amino-4-thiazolyl)-2-(carboxymethoxyimino)-1-oxoethyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid is a cephalosporin.

CAS Number97164-56-2
PubChem CID6321411
IUPAC Name(6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular FormulaC16H15N5O7S2
Molecular Weight453.5
XLogP-0.7
Topological Polar Surface Area238
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity861
SMILES
C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N/OCC(=O)O)/C3=CSC(=N3)N)SC1)C(=O)O
InChI
InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9+/t10-,14-/m1/s1
InChIKey
OKBVVJOGVLARMR-VINNURBNSA-N
Chemical Structure
2D Structure
2D structure of Cefixime anhydrous, (E)-
CAS: 97164-56-2
CID: 6321411
Formula: C16H15N5O7S2
MW: 453.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.5
XLogP3-0.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Exact Mass453.04129018
Monoisotopic Mass453.04129018
Topological Polar Surface Area238 Ų
Heavy Atom Count30
Formal Charge0
Complexity861
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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RM-C241305-01Cefixime EP Impurity E
IC181220-01Cefixime Impurity A
AR-C01830-01Cefixime Impurity B (E-isomer)
RM-C241385-01Cefixime Impurity 59
RM-C241382-01Cefixime Impurity 56
RM-C241402-01Cefixime Impurity 74
RM-C241398-01Cefixime Impurity 72
RM-C241330-01Cefixime Impurity 4
RM-C241333-01Cefixime Impurity 7
RM-C241337-01Cefixime Impurity 11

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