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1H-[1,2,4]Oxadiazolo[4,3-a]quinoxalin-1-one

1H-[1,2,4]Oxadiazolo[4,3-a]quinoxalin-1-one structure

CAS No:
41443-28-1
Formula:
C9H5N3O2
Chemical Name:
1H-[1,2,4]Oxadiazolo[4,3-a]quinoxalin-1-one
Synonyms:
1H-[1,2,4]Oxadiazolo[4,3-a]quinoxalin-1-one;ODQ;[1,2,4]Oxadiazolo[4,3-a]quinoxalin-1-one

Description

1H-[1,2,4]oxadiazolo[4,3-a]quinoxalin-1-one is a member of the class of oxadiazoloquinoxalines that is 1H-[1,2,4]oxadiazolo[4,3-a]quinoxaline substituted at position 1 by an oxo group. It has a role as an EC 4.6.1.2 (guanylate cyclase) inhibitor.

1H-[1,2,4]Oxadiazolo[4,3-a]quinoxalin-1-one Basic Attributes

Molecular Weight：

187.15500

Exact Mass：

187.15

UNII：

S57V2NMV38

DSSTox ID：

DTXSID2036796

HScode：

2934999090

Characteristics

PSA：

60.40000

XLogP3：

0.83570

Appearance：

Off-White to Light Yellow Powder

Density：

1.61 g/cm3

Melting Point：

163-164 °C

Boiling Point：

321.3ºC at 760 mmHg

Flash Point：

148.1ºC

Refractive Index：

1.781

Storage Conditions：

2-8ºC

Safety Information

wgk germany：

hazard class code：

R36/37/38

safety instructions：

26-36

Marks：

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)

MeSH Entry Terms：

1H-(1,2,4)oxadiazolo(4,3-a)quinoxalin-1-one

Computed Properties

Molecular Weight:187.15
XLogP3:1.1
Hydrogen Bond Acceptor Count:4
Exact Mass:187.038176411
Monoisotopic Mass:187.038176411
Topological Polar Surface Area:54.3
Heavy Atom Count:14
Complexity:337
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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1H-[1,2,4]Oxadiazolo[4,3-a]quinoxalin-1-one

CAS No.: 41443-28-1

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Guide of 1H-[1,2,4]Oxadiazolo[4,3-a]quinoxalin-1-one

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
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