NS 2028

CAT: 0607-B5627-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-B5627-10Size:10 mg

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Description

soluble guanylyl cyclase (sGC) inhibitor

CAS Number

204326-43-2

Product Name Alternative

8-bromobenzo[b][1,2,4]oxadiazolo[4,3-d][1,4]oxazin-1(4H)-one

Field of Research

Others Guanylyl Cyclase

Form

A crystalline solid

Solubility

Soluble in DMSO

Smiles

BrC1=CC(N2C(CO3)=NOC2=O)=C3C=C1

Molecular Formula

C9H5BrN2O3

Molecular Weight

269.05

Shipping Conditions

Blue ice

Storage Conditions

Store at -20°C.

Chemical Information

NS-2028

structure in first source

CAS Number	204326-43-2
PubChem CID	4551
IUPAC Name	8-bromo-4H-[1,2,4]oxadiazolo[3,4-c][1,4]benzoxazin-1-one
Molecular Formula	C9H5BrN2O3
Molecular Weight	269.05
XLogP	2
Topological Polar Surface Area	51.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	15
Formal Charge	0
Complexity	333

SMILES

C1C2=NOC(=O)N2C3=C(O1)C=CC(=C3)Br

InChI

InChI=1S/C9H5BrN2O3/c10-5-1-2-7-6(3-5)12-8(4-14-7)11-15-9(12)13/h1-3H,4H2

InChIKey

MUDRLQRJCGJJTB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 204326-43-2

CID: 4551

Formula: C9H5BrN2O3

MW: 269.05

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	269.05
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	267.94835
Monoisotopic Mass	267.94835
Topological Polar Surface Area	51.1 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	333
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

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