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3-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide,hydrate,hydrochloride

3-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide,hydrate,hydrochloride structure

CAS No:
117591-79-4
Formula:
C16H26BrClN2O4
Chemical Name:
3-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide,hydrate,hydrochloride
Synonyms:
Benzamide,3-bromo-N-((1-ethyl-2-pyrrolidinyl)methyl)-2,6-dimethoxy-,monohydrochloride,monohydrate,(S); UNII-MH4OU8RWCW; Roxiam; Remoxipride hydrochloride monohydrate; Remoxipride hydrochloride (USAN);

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3-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide,hydrate,hydrochloride Basic Attributes

Molecular Weight：

425.74600

Exact Mass：

424.07645 g/mol

UNII：

MH4OU8RWCW

DSSTox ID：

DTXSID00151829

Characteristics

PSA：

60.03000

XLogP3：

3.74690

Density：

1.292g/cm3

Boiling Point：

439.9ºC at 760mmHg

Flash Point：

219.8ºC

Vapor Pressure：

6.17E-08mmHg at 25°C

Computed Properties

Molecular Weight:425.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:424.07645
Monoisotopic Mass:424.07645
Topological Polar Surface Area:51.8
Heavy Atom Count:24
Complexity:369
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

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Guide of 3-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide,hydrate,hydrochloride

Basic Attributes
Characteristics
Computed Properties

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