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Dehydronifedipine

Dehydronifedipine structure

CAS No:
67035-22-7
Formula:
C17H16N2O6
Chemical Name:
Dehydronifedipine
Synonyms:
3,5-Pyridinedicarboxylic acid,2,6-dimethyl-4-(2-nitrophenyl)-,3,5-dimethyl ester;3,5-Pyridinedicarboxylic acid,2,6-dimethyl-4-(2-nitrophenyl)-,dimethyl ester;Dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylate;B 4759;Dehydronifedipine;BAY-b 4759

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Description

Dehydronifedipine is a phenylpyridine.

Dehydronifedipine Basic Attributes

Molecular Weight：

344.31900

Exact Mass：

344.32

UNII：

OR3W8GT1C8

DSSTox ID：

DTXSID9052347

Characteristics

PSA：

111.31000

XLogP3：

3.37000

Density：

1.284g/cm3

Melting Point：

104-105 °C

Boiling Point：

443.7ºC at 760 mmHg

Flash Point：

222.1ºC

Refractive Index：

1.575

Storage Conditions：

2-8ºC

Safety Information

Marks：

Precautionary statement(s)：

P280; P305 + P351 + P338

Hazard Statements：

H318

GHS Classification：

|Danger|H318 (93.33%): Causes serious eye damage [Danger Serious eye damage/eye irritation]|P280, P305+P351+P338, and P310|Aggregated GHS information provided by 45 companies from 2 notifications to the ECHA C&L Inventory.

Drug Information

Metabolism/Metabolites：

Oxidized nifedipine is a known human metabolite of nifedipine.

MeSH Entry Terms：

2,6-dimethyl-4-(ortho-nitrophenyl)-3,5-pyridinedicarboxylic aciddimenthyl ester

Computed Properties

Molecular Weight:344.32
XLogP3:2.8
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:344.10083623
Monoisotopic Mass:344.10083623
Topological Polar Surface Area:111
Heavy Atom Count:25
Complexity:492
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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OXIDIZED NIFEDIPINE

CAS No.: 67035-22-7

Content: 99.00%

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Guide of Dehydronifedipine

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
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