Dihydralazine mesylate

CAT: 0926-FD57977-01Size: 0.05 gDry Ice: NoHazardous: No

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CAT#:0926-FD57977-01Size:0.05 g

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CAS Number

69467-96-5

Smiles

CS (=O) (=O) O.C1=CC=C2C (=C1) C (=NN=C2NN) NN

Molecular Formula

C9H14N6O3S

Molecular Weight

286.31 g/mol

Controlled

Chemical Information

Dihydralazine Mesylate

See also: Dihydralazine (has active moiety).

CAS Number	69467-96-5
PubChem CID	20055439
IUPAC Name	(4-hydrazinylphthalazin-1-yl)hydrazine;methanesulfonic acid
Molecular Formula	C9H14N6O3S
Molecular Weight	286.31
Topological Polar Surface Area	165
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	259

SMILES

CS(=O)(=O)O.C1=CC=C2C(=C1)C(=NN=C2NN)NN

InChI

InChI=1S/C8H10N6.CH4O3S/c9-11-7-5-3-1-2-4-6(5)8(12-10)14-13-7;1-5(2,3)4/h1-4H,9-10H2,(H,11,13)(H,12,14);1H3,(H,2,3,4)

InChIKey

DRFCWYSGNDFNPW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 69467-96-5

CID: 20055439

Formula: C9H14N6O3S

MW: 286.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	286.31
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	2
Exact Mass	286.08480950
Monoisotopic Mass	286.08480950
Topological Polar Surface Area	165 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	259
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes