Bromisoval Impurity 3

CAT: 1299-RM-B181303-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-B181303-02Size:25 mg

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CAS Number

61345-66-2

Synonyms

N-carbamoyl-2-chloro-3-methylbutanamide

Molecular Formula

C6H11ClN2O2

Molecular Weight

178.62

Target Alternative Name

Bromisoval

Product Name Synonym

N-carbamoyl-2-chloro-3-methylbutanamide

Chemical Information

A-Chloro-I-valerylurea

CAS Number	61345-66-2
PubChem CID	108548
IUPAC Name	N-carbamoyl-2-chloro-3-methylbutanamide
Molecular Formula	C6H11ClN2O2
Molecular Weight	178.62
XLogP	1
Topological Polar Surface Area	72.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	170

SMILES

CC(C)C(C(=O)NC(=O)N)Cl

InChI

InChI=1S/C6H11ClN2O2/c1-3(2)4(7)5(10)9-6(8)11/h3-4H,1-2H3,(H3,8,9,10,11)

InChIKey

MVPOUIVDKJJYLB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 61345-66-2

CID: 108548

Formula: C6H11ClN2O2

MW: 178.62

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	178.62
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	178.0509053
Monoisotopic Mass	178.0509053
Topological Polar Surface Area	72.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	170
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-B181305-01	Bromisoval Impurity 5
RM-B181306-01	Bromisoval Impurity 6
RM-B181302-01	Bromisoval Impurity 2
RM-B181304-01	Bromisoval Impurity 4
RM-B181301-01	Bromisoval Impurity 1
RM-B181300-01	Bromisoval
RM-G271003-01	Gc376 Impurity 3; Nirmatrelvir Impurity
RM-A042503-01	Doxorubicinol Impurity 3
RM-C061729-01	Cefoperazone Impurity 3
RM-A220103-01	Avatrombopag Impurity 3

Catalog	Name
AR-B07884-01	Bromisoval Impurity 1
AR-B07886-01	Bromisoval Impurity 3
AR-B07885-01	Bromisoval Impurity 2
AR-B07887-01	Bromisoval Impurity 4 (Mixture of Diastereomers)
MBS3604659-01	Bromisoval
A17590-500	Bromisoval 500mg
HY-B2113R-01	Bromisoval (Standard)
A17590-200	Bromisoval 200mg
A17590-1000	Bromisoval 1g
A17590-10mM-D	Bromisoval 10mM * 1mL in DMSO