Guanethidine Hemisulfate

CAT: 0024-sc-295027DSize: 10 gDry Ice: NoHazardous: No

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CAT#:0024-sc-295027DSize:10 g

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CAS Number

60-02-6

Chemical Information

Guanethidine Sulfate

See also: Guanethidine (has active moiety); Guanethidine Monosulfate (related).

CAS Number	60-02-6
PubChem CID	65328
IUPAC Name	bis(2-[2-(azocan-1-yl)ethyl]guanidine);sulfuric acid
Molecular Formula	C20H46N8O4S
Molecular Weight	494.7
Topological Polar Surface Area	218
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Heavy Atom Count	33
Formal Charge	0
Complexity	248

SMILES

C1CCCN(CCC1)CCN=C(N)N.C1CCCN(CCC1)CCN=C(N)N.OS(=O)(=O)O

InChI

InChI=1S/2C10H22N4.H2O4S/c2*11-10(12)13-6-9-14-7-4-2-1-3-5-8-14;1-5(2,3)4/h2*1-9H2,(H4,11,12,13);(H2,1,2,3,4)

InChIKey

NBJGGHFXCGHTNJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 60-02-6

CID: 65328

Formula: C20H46N8O4S

MW: 494.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	494.7
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	494.33627315
Monoisotopic Mass	494.33627315
Topological Polar Surface Area	218 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	248
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	3
Compound Is Canonicalized	Yes

Catalog	Name
sc-211570	Guanethidine sulfate
sc-295358D	Leupeptin hemisulfate
sc-301948	Tris hemisulfate
sc-295358	Leupeptin hemisulfate
sc-472730	Rosoxacin Hemisulfate
sc-221734	Hydroxyguanidine hemisulfate
sc-486110	Methylfluorone Hemisulfate
sc-202305	Quinine hemisulfate
sc-204911	Terbutaline Hemisulfate
sc-203373	Salbutamol hemisulfate

Catalog	Name
FG23707-01	Guanethidine hemisulfate
HY-B1251	Guanethidine
B8683-1000	Guanethidine (sulfate)
317983	Guanethidine Sulfate
HY-108247	Guanethidine (sesquisulfate)
51R-U301801	Guanethidine Monosulfate