Ceftriaxone Impurity 2

CAT: 1596-AR-C02175-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C02175-02Size:25 Units

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CAS Number

84994-24-1

Synonyms

(Z) -benzo[d]thiazol-2-yl 2- (2-aminothiazol-4-yl) -2- (methoxyimino) acetate

Molecular Formula

C13H10N4O3S2

Molecular Weight

334.38

API Name

Ceftriaxone

Chemical Information

O-1,3-Benzothiazol-2-yl (2Z)-(2-amino-1,3-thiazol-4-yl)(methoxyimino)ethanethioate

CAS Number	84994-24-1
PubChem CID	46738096
IUPAC Name	O-(1,3-benzothiazol-2-yl) (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoethanethioate
Molecular Formula	C13H10N4O2S3
Molecular Weight	350.4
XLogP	4.2
Topological Polar Surface Area	171
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Heavy Atom Count	22
Formal Charge	0
Complexity	451

SMILES

CO/N=C(/C1=CSC(=N1)N)\C(=S)OC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C13H10N4O2S3/c1-18-17-10(8-6-21-12(14)15-8)11(20)19-13-16-7-4-2-3-5-9(7)22-13/h2-6H,1H3,(H2,14,15)/b17-10-

InChIKey

WRTVTCFELAEIEQ-YVLHZVERSA-N

Chemical Structure

2D Structure

CAS: 84994-24-1

CID: 46738096

Formula: C13H10N4O2S3

MW: 350.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	350.4
XLogP3	4.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Exact Mass	349.99658910
Monoisotopic Mass	349.99658910
Topological Polar Surface Area	171 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	451
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

Catalog	Name
AR-C02166-01	Ceftriaxone EP Impurity A ((E) -Ceftriaxone)
AR-C06864-01	Ceftriaxone Impurity 17
AR-C02176-01	Ceftriaxone Impurity 3
AR-C06854-01	Ceftriaxone Impurity 15
AR-C06851-01	Ceftriaxone Impurity 12
AR-C06846-01	Ceftriaxone Impurity 6
AR-C02170-01	Ceftriaxone Impurity 1
AR-C06857-01	Ceftriaxone Impurity 19
AR-C06856-01	Ceftriaxone Impurity 18
AR-C06853-01	Ceftriaxone Impurity 14

Catalog	Name
RM-C062401-01	Ceftriaxone EP Impurity A ((E) -Ceftriaxone)
RM-C062437-01	Ceftriaxone Impurity 11
RM-C062442-01	Ceftriaxone Impurity 16
RM-C062439-01	Ceftriaxone Impurity 13
RM-C062428-01	Ceftriaxone Impurity 2
RM-C062433-01	Ceftriaxone Impurity 7
RM-C062429-01	Ceftriaxone Impurity 3
RM-C062452-01	Ceftriaxone Impurity 52
RM-C062453-01	Ceftriaxone Impurity 53
RM-C062458-01	Ceftriaxone Impurity 58