Molsidomine

CAT: 0572-TRC-M488000-500MGSize: 500 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-M488000-500MGSize:500 mg

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CAS Number

25717-80-0

Synonyms

5-[(Ethoxycarbonyl)amino]-3-(4-morpholinyl)-1,2,3-oxadiazolium inner salt; N-(Ethoxycarbonyl)-3-(4-morpholinyl)sydnone imine; N-Carboxy-3-morpholinosydnone imine ethyl ester; Corraton; Corvasal; Corvaton; Molsidolat; Molsidomine; Morial; Morsydomine; Motazomin; N-(Ethoxycarbonyl)-3-morpholinosydnone imine; N-Ethoxycarbonyl-3-morpholinosydnonimine; SIN 10; Sydnopharm

Hazard Statement

Harmful if swallowed

Purity

>95% (HPLC)

Smiles

CCOC(=O)\N=C\1/O[N-][N+](=C1)N2CCOCC2

Molecular Formula

C9 H14 N4 O4

Molecular Weight

242.23

InChI

InChI=1S/C9H14N4O4/c1-2-16-9(14)10-8-7-13(11-17-8)12-3-5-15-6-4-12/h7H,2-6H2,1H3/b10-8-

Additionnal Information

IUPAC name: ethyl (NZ)-N-(3-morpholin-4-yl-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-ylidene)carbamate

Shipping Conditions

Room Temperature

Storage Conditions

-20°C

Chemical Information

Molsidomine

1-ethoxy-N-[3-(4-morpholinyl)-5-oxadiazol-3-iumyl]methanimidate is a member of morpholines.

CAS Number	25717-80-0
PubChem CID	5353788
IUPAC Name	(1E)-1-ethoxy-N-(3-morpholin-4-yloxadiazol-3-ium-5-yl)methanimidate
Molecular Formula	C9H14N4O4
Molecular Weight	242.23
XLogP	2.2
Topological Polar Surface Area	87
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	270

SMILES

CCO/C(=N/C1=C[N+](=NO1)N2CCOCC2)/[O-]

InChI

InChI=1S/C9H14N4O4/c1-2-16-9(14)10-8-7-13(11-17-8)12-3-5-15-6-4-12/h7H,2-6H2,1H3

InChIKey

XLFWDASMENKTKL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 25717-80-0

CID: 5353788

Formula: C9H14N4O4

MW: 242.23

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	242.23
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	242.10150494
Monoisotopic Mass	242.10150494
Topological Polar Surface Area	87 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	270
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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MBS577111	Molsidomine
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A16136-200	Molsidomine 200mg
AR-M02163-01	Molsidomine Impurity A
HY-B1069R-01	Molsidomine (Standard)
A16136-500	Molsidomine 500mg
TBI2802-500MG	Molsidomine, NO donor

Molsidomine

Chemical Information

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