Isosorbide 2-mononitrate

HCID 62989
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Substructure searchFind similar structures

Basic information

CAS
16106-20-0
Standard SMILES
O=[N+]([O-])O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O
InChIKey
YWXYYJSYQOXTPL-JGWLITMVSA-N
Molecular formula
C6H9NO6
Average molar mass
191.14 g/mol
Monoisotopic mass
191.04298701

Overview

for prevention & therapy of angina pectoris

Names & identifiers

Preferred name
Isosorbide 2-mononitrate
IUPAC
[(3R,3aR,6S,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
English name
Isosorbide 2-mononitrate
Molecular formula
C6H9NO6
Molecular weight
191.14

Names & synonyms

Isosorbide 2-nitrate16106-20-0Isosorbide 2-mononitrateIsosorbide-2-mononitrateisosorbide nitrate21BMF8FI0KDTXSID40873331RefChem:792337DTXCID90820835240-271-4D-Glucitol, 1,4:3,6-dianhydro-, 2-nitrate1,4:3,6-Dianhydro-D-glucitol 2-nitrate
Show more names
IS-2-MNinorganicnitrates,isosorbide2-nitrate2-isosorbide mononitrateIsosorbide-2-nitrate CRSIsosorbide EP Impurity BIsosorbide-2-nitrate,99+%ISOSORBIDE-2-MONONITRATEI
(3S,3aS,6R,6aR)-6-hydroxyhexahydrofuro[3,2-b]furan-3-yl nitrate[(3R,3aR,6S,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate1,4:3,6-dianhydro-2-O-nitro-D-glucitol2-Ismn(3S,3aS,6R,6aR)-6-hydroxy-hexahydrofuro[3,2-b]furan-3-yl nitrate1,4:3,6-Dianhydro-2-nitro-D-glucitolEINECS 240-271-4UNII-21BMF8FI0K

Database identifiers

CAS
16106-20-0
PubChem CID
62989
DTXSID
DTXSID40873331
ChEMBL
CHEMBL1310
UNII
21BMF8FI0K
EC Number
240-271-4
Nikkaji
J286.821K

Properties

Computed structural properties

XLogP
-0.4
Topological polar surface area
93.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
1
Heavy atoms
13

Experimental & physicochemical properties

DrugsPharmaceuticals -> Metabolite of Isosorbide Dinitrate

Physicochemical properties

Melting point
51.5 °C · >51.5°C
Boiling point
326.86 °C · 326.86°C (rough estimate)
Density
1.5784 · 1.5784 (rough estimate)
refractive index
1.486 · 1.4860 (estimate)
storage temp.
-20 °C · -20°C Freezer
solubility
Chloroform (Sparingly), Ethanol (Slightly), Methanol (Slightly)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H242 (60%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]

P210, P234, P235, P240, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P410, P411, P420, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationD-Glucitol, 1,4:3,6-dianhydro-, 2-nitrate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSelf-react. E (60%)

Safety data

rtecs
LZ4385500
hs_code
2932999000
Signal word
Warning
Symbol(GHS)
GHS02,GHS07
Hazard statements
H242-H302
Precautionary statements
P264-P270-P301+P312-P330-P501-P210-P220-P234-P280-P370+P378-P403+P235-P411-P420-P501

Chemistry & industry

Applications

UsesIsosorbide 2-mononitrate is a metabolite of Isosorbide Dinitrate. Used as an antianginal.

Suppliers46 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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