Cefaclor EP Impurity B

CAT: 1596-AR-C06436-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C06436-02Size:25 Units

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CAS Number

53994-69-7

Synonyms

2,2â€2,2â€3,2â€2â€2â€2,2â€2â€2â€2â€2,2â€2â€2â€2â€2â€2[[8- (Piperidin-1-yl) pyrimido[5,4-d]pyrimidine-2,4,6-triyl]trinitrilo]hexaethanol

Molecular Formula

C7H7ClN2O3S

Molecular Weight

234.65

API Name

Cefaclor

Chemical Information

7-Amino-3-chloro-3-cephem-4-carboxylic acid

CAS Number	53994-69-7
PubChem CID	6998927
IUPAC Name	(6R,7R)-7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Formula	C7H7ClN2O3S
Molecular Weight	234.66
XLogP	-2.8
Topological Polar Surface Area	109
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	357

SMILES

C1C(=C(N2[C@H](S1)[C@@H](C2=O)N)C(=O)O)Cl

InChI

InChI=1S/C7H7ClN2O3S/c8-2-1-14-6-3(9)5(11)10(6)4(2)7(12)13/h3,6H,1,9H2,(H,12,13)/t3-,6-/m1/s1

InChIKey

OQSAFIZCBAZPMY-AWFVSMACSA-N

Chemical Structure

2D Structure

CAS: 53994-69-7

CID: 6998927

Formula: C7H7ClN2O3S

MW: 234.66

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	234.66
XLogP3	-2.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	233.9865910
Monoisotopic Mass	233.9865910
Topological Polar Surface Area	109 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	357
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-C01634-01	Cefaclor EP Impurity G
AR-C01635-01	Cefaclor EP Impurity H
AR-C01636-01	Cefaclor EP Impurity F (Ampicillin EP Impurity H)
AR-A02118-01	Ampicillin EP Impurity H (Cefaclor EP Impurity F)
AR-C01633-01	Cefaclor EP Impurity C HCl
AR-C01643-01	Cefaclor Impurity 8 (Cefaclor dimer)
AR-C06440-01	Cefaclor Impurity 13
AR-C06442-01	Cefaclor Impurity 15
AR-C06441-01	Cefaclor Impurity 14
AR-C06448-01	Cefaclor Impurity 21