Cefazedone Impurity 20

CAT: 1596-AR-C06494-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C06494-02Size:25 Units

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

64485-88-7

Synonyms

Ethyl (Z) -2- (2-aminothiazol-4-yl) -2- (methoxyimino) acetate

Molecular Formula

C8H11N3O3S

Molecular Weight

229.25

API Name

Cefazedone

Chemical Information

Ethyl (alphaZ)-2-amino-alpha-(methoxyimino)-4-thiazoleacetate

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CAS Number	64485-88-7
PubChem CID	5582977
IUPAC Name	ethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate
Molecular Formula	C8H11N3O3S
Molecular Weight	229.26
XLogP	1.6
Topological Polar Surface Area	115
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	15
Formal Charge	0
Complexity	260

SMILES

CCOC(=O)/C(=N\OC)/C1=CSC(=N1)N

InChI

InChI=1S/C8H11N3O3S/c1-3-14-7(12)6(11-13-2)5-4-15-8(9)10-5/h4H,3H2,1-2H3,(H2,9,10)/b11-6-

InChIKey

POBMBNPEUPDXRS-WDZFZDKYSA-N

Chemical Structure

2D Structure

CAS: 64485-88-7

CID: 5582977

Formula: C8H11N3O3S

MW: 229.26

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	229.26
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	229.05211239
Monoisotopic Mass	229.05211239
Topological Polar Surface Area	115 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	260
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes