Isosorbide Mononitrate 1000mg

CAT: 0628-A15952-1000Size: 1000 mgDry Ice: NoHazardous: No

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CAT#:0628-A15952-1000Size:1000 mg

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CAS Number

16051-77-7

Chemical Information

Isosorbide Mononitrate

Isosorbide mononitrate is a nitrate ester and a glucitol derivative. It has a role as a vasodilator agent and a nitric oxide donor.

CAS Number	16051-77-7
PubChem CID	27661
IUPAC Name	[(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
Molecular Formula	C6H9NO6
Molecular Weight	191.14
XLogP	-0.4
Topological Polar Surface Area	93.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	216

SMILES

C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)O[N+](=O)[O-])O

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

InChIKey

YWXYYJSYQOXTPL-SLPGGIOYSA-N

Chemical Structure

2D Structure

CAS: 16051-77-7

CID: 27661

Formula: C6H9NO6

MW: 191.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
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 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	216
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
A15952-5000	Isosorbide Mononitrate 5g
A15952-500	Isosorbide Mononitrate 500mg
A15952-10mM-D	Isosorbide Mononitrate 10mM * 1mL in DMSO
A17565-100	Isosorbide dinitrate 100mg
A17565-50	Isosorbide dinitrate 50mg
A17565-500	Isosorbide dinitrate 500mg
A17565-5	Isosorbide dinitrate 5mg
A17565-25	Isosorbide dinitrate 25mg
A17565-200	Isosorbide dinitrate 200mg
A17565-10	Isosorbide dinitrate 10mg

Catalog	Name
HY-B0642-01	Isosorbide mononitrate
GC9368-100mg	Isosorbide-2-mononitrate
HY-W777418-01	Isosorbide mononitrate-13C6
HY-B0642R-01	Isosorbide mononitrate (Standard)
I902100	Isosorbide 5-Mononitrate
CS-O-30502	Isosorbide-2-Mononitrate-13C6
45597521-1g	Isosorbide-5-mononitrate CHR