Cefditoren pivoxil Impurity 6

CAT: 1299-RM-C042006-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-C042006-01Size:10 mg

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CAS Number

2375345-02-9

Synonyms

(6R,7R) -7-amino-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

C13H13N3O3S2

Molecular Weight

323.39

Target Alternative Name

Cefditoren

Product Name Synonym

(6R,7R) -7-amino-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

Cefditoren Impurity 11

CAS Number	2375345-02-9
PubChem CID	175674018
IUPAC Name	(6R,7R)-7-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 Formula	C13H13N3O3S2
Molecular Weight	323.4
XLogP	-1.8
Topological Polar Surface Area	150
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	21
Formal Charge	0
Complexity	537

SMILES

CC1=C(SC=N1)/C=C\C2=CS[C@@H]3[C@@H](C(=O)N3C2C(=O)O)N

InChI

InChI=1S/C13H13N3O3S2/c1-6-8(21-5-15-6)3-2-7-4-20-12-9(14)11(17)16(12)10(7)13(18)19/h2-5,9-10,12H,14H2,1H3,(H,18,19)/b3-2-/t9-,10?,12-/m1/s1

InChIKey

WIJRCHPTSITTIP-MJFNMTASSA-N

Chemical Structure

2D Structure

CAS: 2375345-02-9

CID: 175674018

Formula: C13H13N3O3S2

MW: 323.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	323.4
XLogP3	-1.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	323.03983363
Monoisotopic Mass	323.03983363
Topological Polar Surface Area	150 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	537
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-G031205-01	Cefditoren Pivoxil Impurity 66
RM-G031209-01	Cefditoren Pivoxil Impurity 70
RM-C042064-01	Cefditoren Pivoxil Impurity 74
RM-C042042-01	Cefditoren Pivoxil Impurity 42
RM-C042019-01	Cefditoren Pivoxil Impurity 19
RM-C042002-01	Cefditoren Pivoxil Impurity 2
RM-C042003-01	Cefditoren Pivoxil Impurity 3
RM-C042046-01	Cefditoren Pivoxil Impurity P8
RM-C042060-01	Cefditoren Pivoxil Impurity 60
RM-G031204-01	Cefditoren Pivoxil Impurity 65

Catalog	Name
AR-C01779-01	Cefditoren Impurity 3 (Cefetamet Pivoxil)
T72457-01	Cefditoren (Pivoxil)
GA6734-1g	Cefditoren pivoxil