Isosorbide mononitrate

C₆H₉NO₆CAS 16051-77-7191.14 g/mol

Open in Covalent MOL file

Alcohol Ether Nitro

Properties

Molecular formula: C₆H₉NO₆
Molar mass: 191.14 g/mol
Exact mass: 191.0430 Da
Melting point: 88–91 °C
logP: -1.28Crippen estimate
Polar surface area: 91.1 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 2
Stereocentres: R, R, S, Sin SMILES atom order

Hazards

Danger

H228 Flammable solid95.7% of notifiers
H315 Causes skin irritation60.2% of notifiers
H319 Causes serious eye irritation59.1% of notifiers
H335 May cause respiratory irritation59.1% of notifiers
H361 Suspected of damaging fertility or the unborn child87.1% of notifiers

Aggregated from 93 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, P501

Identifiers

CAS number

16051-77-7

SMILES

O=[N+]([O-])O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O

InChIKey

YWXYYJSYQOXTPL-SLPGGIOYSA-N

InChI

InChI=1S/C6H9NO6/c8-3-1-11-6-4(13-7(9)10)2-12-5(3)6/h3-6,8H,1-2H2/t3-,4+,5+,6+/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

76 names · show all

D-Glucitol, 1,4:3,6-dianhydro-, 5-nitrate
Glucitol, 1,4:3,6-dianhydro-, 5-nitrate, D-
Furo[3,2-b]furan, D-glucitol deriv.
Isosorbide 5-mononitrate
1,4:3,6-Dianhydro-D-glucitol 5-nitrate
Isosorbide 5-nitrate
IS 5MN
AHR 4698
BM 22-145
Monizid
Imdur
Multitab
Ismo
Monoket
Monolong
Mono-mack
Imodur
Monoket OD
Mononit retard 50
Mononit 40
Ismox
Monolong 60
Medocor
Nitramin
Corangin SR
Conpin
Monotrate
Ismo 20
Isomonat
Monopront
Monicor
Corangin
Isomonit
Mono-sanorania
Elantan
Imdur 60
Ismexin
ISMN
Isopen 20
Monodur durules
Monocord 20
Imdur durules
Isomon
Mononit 20
Imtrate
Mono corax
Monoket retard
Mono corax retard
Monosorbitrate
Monit 20
Pentacard
Elantan long
Pentacard 20
Monis
Iturol
Conpin retardkaps
Vasotrate
Monovas
Monoclair
Mononit
Duride
Monocord 40
Monolong 40
Monosordil
Elan
Monocord 50SR
Elantan retard
Dilavenil
Mono-cedocard
Monosorb
Momo mack
Olicard
Monit
Geomatrix
Ormox
Monizol

Work with Isosorbide mononitrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Isosorbide dinitrate87-33-276 % similar Isomannide641-74-748 % similar Isosorbide652-67-548 % similar Nitroglycerin55-63-039 % similar Isopropyl nitrate1712-64-734 % similar p-Nitrophenyl β-D-xylopyranoside2001-96-931 % similar 1,3:4,6-Di-O-benzylidene-D-mannitol28224-73-930 % similar Sorbitan trioctadecanoate26658-19-530 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Nitrilotriacetic acid139-13-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook