Rufinamide-5-Carboxamide

CAT: 0572-TRC-R701470-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-R701470-2.5MGSize:2.5 mg

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CAS Number

1622904-99-7

Synonyms

Rufinamide Impurity 3

Hazard Statement

Suspected of damaging fertility or the unborn child.

Purity

>95% (HPLC)

Smiles

NC(=O)c1cnnn1Cc2c(F)cccc2F

Molecular Formula

C10H8F2N4O

Molecular Weight

238.19

Shipping Conditions

Room Temperature

Storage Conditions

-20°C

Chemical Information

Rufinamide-5-carboxamide

CAS Number	1622904-99-7
PubChem CID	66693141
IUPAC Name	3-[(2,6-difluorophenyl)methyl]triazole-4-carboxamide
Molecular Formula	C10H8F2N4O
Molecular Weight	238.19
XLogP	0.7
Topological Polar Surface Area	73.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	281

SMILES

C1=CC(=C(C(=C1)F)CN2C(=CN=N2)C(=O)N)F

InChI

InChI=1S/C10H8F2N4O/c11-7-2-1-3-8(12)6(7)5-16-9(10(13)17)4-14-15-16/h1-4H,5H2,(H2,13,17)

InChIKey

ZBAVQEMRPMTLRC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1622904-99-7

CID: 66693141

Formula: C10H8F2N4O

MW: 238.19

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	238.19
XLogP3	0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	238.06661722
Monoisotopic Mass	238.06661722
Topological Polar Surface Area	73.8 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	281
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

Related Products

Catalog	Name
TRC-R701550-50MG	Rufinamide
TRC-R701550-250MG	Rufinamide
TRC-R701550-10MG	Rufinamide
TRC-R701553-10MG	Rufinamide-d2
TRC-R701553-1MG	Rufinamide-d2
TRC-R701552-10MG	Rufinamide-15N,d2
TRC-C414210-250MG	3-Chloro Rufinamide
TRC-E414205-100MG	Ethyl Ester Rufinamide
TRC-R701552-1MG	Rufinamide-15N,d2
TRC-D290315-50MG	6-Desfluoro Rufinamide

Alternative Products

Catalog	Name
AR-R11690-01	Rufinamide-5-Carboxamide
RM-R271005-01	Rufinamide Impurity 5
T2523-01	Rufinamide

Rufinamide-5-Carboxamide

Chemical Information

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