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RofluMilastN-Oxide

RofluMilastN-Oxide structure

CAS No:
292135-78-5
Formula:
C17H14Cl2F2N2O4
Chemical Name:
RofluMilastN-Oxide
Synonyms:
RofluMilast N-Oxide;3-(CyclopropylMethoxy)-N-(3,5-dichloro-1-oxido-4-pyridinyl)-4-(difluoroMethoxy)benzaMide;N-(3,5-Dichloro-1-oxopyridin-4-yl)-4-difluoroMethoxy-3-cyclopropyl- MethoxybenzaMide;3,5-dichloro-4-(3-(cyclopropylMethoxy)-4-(difluoroMethoxy)benzaMido)pyridine 1-oxide;Benzamide,3-(cyclopropylmethoxy)-N-(3,5-dichloro-1-oxido-4-pyridinyl)-4-(difluoromethoxy)-;3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLORO-1-OXO-1Λ-PYRIDIN-4-YL)-4-(DIFLUOROMETHOXY)BENZAMIDE;3,5-dichloro-4-(3-(cyclopr;3-(cyclopropylmethoxy)-N-(3,5-dichloro-1-hydroxypyridin-4-ylidene)-4-(difluoromethoxy)benzamide
Categories:
Organic Chemistry > Amides

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RofluMilastN-Oxide Basic Attributes

Molecular Weight：

419.21

Exact Mass：

418.0298686

EC Number：

604-604-1

UNII：

F08MQ6CZCS

DSSTox ID：

DTXSID80433059

Characteristics

Density：

1.56±0.1 g/cm3

Melting Point：

181 °C

Boiling Point：

519.7±50.0 °C(Predicted)

PKA：

9.19±0.70

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH：

Compounds that specifically inhibit PHOSPHODIESTERASE 4. (See all compounds classified as Phosphodiesterase 4 Inhibitors.)

MeSH Entry Terms：

3-(Cyclopropylmethoxy)-N-(3,5-dichloro-1-oxido-4-pyridinyl)-4-(difluoromethoxy)benzamide

RofluMilastN-Oxide Use and Manufacturing

Roflumilast-N-oxide is the active metabolite of Roflumilast (R639700).

Computed Properties

Molecular Weight:419.2
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:418.0298686
Monoisotopic Mass:418.0298686
Topological Polar Surface Area:71.4
Heavy Atom Count:27
Complexity:645
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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RofluMilast N-Oxide

CAS No.: 292135-78-5

Content: 99.00%

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