Febantel EP Impurity A

CAT: 1299-RM-F050201-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-F050201-01Size:10 mg

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CAS Number

92088-58-9

Synonyms

Febantel EP Impurity A

Molecular Formula

C18H20N4O4S

Molecular Weight

388.44

Target Alternative Name

Febantel

Product Name Synonym

Febantel EP Impurity A

Chemical Information

Des(methoxycarbonyl) Febantel

CAS Number	92088-58-9
PubChem CID	136219906
IUPAC Name	methyl N-[N'-[2-[(2-methoxyacetyl)amino]-4-phenylsulfanylphenyl]carbamimidoyl]carbamate
Molecular Formula	C18H20N4O4S
Molecular Weight	388.4
XLogP	2.7
Topological Polar Surface Area	140
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Heavy Atom Count	27
Formal Charge	0
Complexity	525

SMILES

COCC(=O)NC1=C(C=CC(=C1)SC2=CC=CC=C2)N=C(N)NC(=O)OC

InChI

InChI=1S/C18H20N4O4S/c1-25-11-16(23)20-15-10-13(27-12-6-4-3-5-7-12)8-9-14(15)21-17(19)22-18(24)26-2/h3-10H,11H2,1-2H3,(H,20,23)(H3,19,21,22,24)

InChIKey

BKUWUQNLCHLEQV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 92088-58-9

CID: 136219906

Formula: C18H20N4O4S

MW: 388.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	388.4
XLogP3	2.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	388.12052631
Monoisotopic Mass	388.12052631
Topological Polar Surface Area	140 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	525
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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
RM-F050203-01	Febantel Impurity 3
RM-F050204-01	Febantel Impurity 4
RM-F050200-01	Febantel
RM-T182601-01	Terazosin EP Impurity A; Alfuzosin EP Impurity B; Doxazosin EP Impurity F; Prazosin EP Impurity A
RM-S161801-01	Sulpiride EP Impurity A ; Amisulpride EP Impurity A
RM-C160601-01	Ciprofloxacin EP Impurity A; Enrofloxacin EP Impurity A
RM-I130401-01	Miconazole Nitrate EP Impurity A; Miconazole EP Impurity A; Econazole EP Impurity A; Sertaconazole Nitrate EP Impurity A; Enilconazole EP Impurity E
RM-L151301-01	Lomustine EP Impurity A; Carmustine EP Impurity A
RM-G120302-01	Gliclazide EP Impurity A ; Tolbutamide EP Impurity A
RM-C010601-01	Caffeine EP Impurity A; Dimenhydrinate EP Impurity A; Diprophylline EP Impurity B; Pentoxifylline EP Impurity C

Catalog	Name
AR-F09827-01	Febantel Impurity 4
AR-F09826-01	Febantel Impurity 3
AR-F09825-01	Febantel Impurity 2
AR-F09828-01	Febantel Impurity 1 Trifluoroacetate
C7012-1000	Febantel
A17523-10000	Febantel 10g