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Isosorbide 2-mononitrate

Isosorbide 2-mononitrate structure

CAS No:
16106-20-0
Formula:
C6H9NO6
Chemical Name:
Isosorbide 2-mononitrate
Synonyms:
D-Glucitol,1,4:3,6-dianhydro-,2-nitrate;Glucitol,1,4:3,6-dianhydro-,2-nitrate,D-;Furo[3,2-b]furan,D-glucitol deriv.;Isosorbide 2-mononitrate;1,4:3,6-Dianhydro-D-glucitol 2-nitrate;Isosorbide 2-nitrate;1,4:3,6-Dianhydro-D-glucitol 2-mononitrate
Categories:
Analytical Chemistry > Standard

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Description

white to ivory crystalline powder

Isosorbide 2-mononitrate Basic Attributes

Molecular Weight：

191.14

Exact Mass：

191.14

EC Number：

240-271-4

UNII：

21BMF8FI0K

HScode：

2932999000

Characteristics

PSA：

93.7

XLogP3：

-0.4

Density：

1.5784 (rough estimate)

Melting Point：

>51.5°C

Boiling Point：

326.86°C (rough estimate)

Flash Point：

174.2ºC

Refractive Index：

1.4860 (estimate)

Storage Conditions：

-20°C Freezer

Vapor Pressure：

8.66E-07mmHg at 25°C

Safety Information

RTECS Number：

LZ4385500

Precautionary statement(s)：

P210, P220, P234, P264, P270, P280, P301+P312, P330, P370+P378, P403+P235, P411, P420, P501

Hazard Statements：

H242

GHS Classification：

|Warning|H242 (75%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]|P210, P220, P234, P264, P270, P280, P301+P312, P330, P370+P378, P403+P235, P411, P420, and P501|Aggregated GHS information provided by 5 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

isosorbide 2-nitrate

Isosorbide 2-mononitrate Use and Manufacturing

A metabolite of Isosorbide Dinitrate. Used as an antianginal

Computed Properties

Molecular Weight:191.14
XLogP3:-0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:191.04298701
Monoisotopic Mass:191.04298701
Topological Polar Surface Area:93.7
Heavy Atom Count:13
Complexity:216
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes