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Cefditoren △-3-Isomer (P7)

CAT: 1299-RM-C042017-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C042017-01Size:10 mg
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CAS Number
145904-68-3
Synonyms
(6R,7R) -7- ((Z) -2- (2-aminothiazol-4-yl) -2- (methoxyimino) acetamido) -3- ((Z) -2- (4-methylthiazol-5-yl) vinyl) -8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid
Molecular Formula
C19H18N6O5S3
Molecular Weight
506.58
Target Alternative Name
Cefditoren
Product Name Synonym
(6R,7R) -7- ((Z) -2- (2-aminothiazol-4-yl) -2- (methoxyimino) acetamido) -3- ((Z) -2- (4-methylthiazol-5-yl) vinyl) -8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid

Chemical Information

(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid
CAS Number145904-68-3
PubChem CID153532371
IUPAC Name(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid
Molecular FormulaC19H18N6O5S3
Molecular Weight506.6
XLogP1.9
Topological Polar Surface Area242
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity914
SMILES
CC1=C(SC=N1)/C=C\C2=CS[C@@H]3[C@@H](C(=O)N3C2C(=O)O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N
InChI
InChI=1S/C19H18N6O5S3/c1-8-11(33-7-21-8)4-3-9-5-31-17-13(16(27)25(17)14(9)18(28)29)23-15(26)12(24-30-2)10-6-32-19(20)22-10/h3-7,13-14,17H,1-2H3,(H2,20,22)(H,23,26)(H,28,29)/b4-3-,24-12-/t13-,14?,17-/m1/s1
InChIKey
YMVHKMYMQMTDJU-RUKQBBACSA-N
Chemical Structure
2D Structure
2D structure of (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid
CAS: 145904-68-3
CID: 153532371
Formula: C19H18N6O5S3
MW: 506.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight506.6
XLogP31.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count7
Exact Mass506.05008122
Monoisotopic Mass506.05008122
Topological Polar Surface Area242 Ų
Heavy Atom Count33
Formal Charge0
Complexity914
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
AR-C01782-01Cefditoren ?-3 isomer
AR-C01784-01Cefditoren E-isomer
TRC-C243780-50MG–³3-Cefditoren Pivoxil
AR-C01779-01Cefditoren Impurity 3 (Cefetamet Pivoxil)
MBS7037738-01Recombinant Grapevine leafroll-associated virus 3 Protein P7 (ORF12)
MBS1183843-01Recombinant Cryptophlebia leucotreta granulosis virus DNA-binding protein (P7.3)
MBS7070620Recombinant Grapevine leafroll-associated virus 3 Protein P7 (ORF12), partial
MBS6093322-01Cefditoren Pivaloyloxymethyl Ester ((6R,7R)-7-[[(2Z)-(2-Amino-4-thiazolyl)methoxyimino)acetyl]amino]-3-[(1Z)-2-(4-methyl-5-thiazolyl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid Pivaloyloxymethyl Ester, Cefditoren Pivoxil, ME-1207,
C2589-98PCefditoren Pivaloyloxymethyl Ester ((6R,7R) -7-[[ (2Z) - (2-Amino-4-thiazolyl) methoxyimino) acetyl]amino]-3-[ (1Z) -2- (4-methyl-5-thiazolyl) ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid Pivaloyloxymethyl Ester, Cefditoren Pivoxil, ME-1207, Meiac)
GTR19239356-01Cefditoren

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