Molsidomine 100mg

CAT: 0628-A16136-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0628-A16136-100Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

25717-80-0

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

Loading 3D structure...

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