Minoxidil sulfate

CAT: 0063-17116306Size: 1 gDry Ice: NoHazardous: No

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CAT#:0063-17116306Size:1 g

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CAS Number

83701-22-8

Chemical Information

1,6-Dihydro-6-imino-4-(1-piperidinyl)-1-(sulfooxy)-2-pyrimidinamine

metabolite of minoxidil; structure given in first source

CAS Number	83701-22-8
PubChem CID	138113345
IUPAC Name	(2-amino-6-imino-4-piperidin-1-ylpyrimidin-1-yl) hydrogen sulfate
Molecular Formula	C9H15N5O4S
Molecular Weight	289.31
XLogP	-0.7
Topological Polar Surface Area	141
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	19
Formal Charge	0
Complexity	529

SMILES

C1CCN(CC1)C2=CC(=N)N(C(=N2)N)OS(=O)(=O)O

InChI

InChI=1S/C9H15N5O4S/c10-7-6-8(13-4-2-1-3-5-13)12-9(11)14(7)18-19(15,16)17/h6,10H,1-5H2,(H2,11,12)(H,15,16,17)

InChIKey

KVOZMWUBYWDGEX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 83701-22-8

CID: 138113345

Formula: C9H15N5O4S

MW: 289.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	289.31
XLogP3	-0.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	289.08447515
Monoisotopic Mass	289.08447515
Topological Polar Surface Area	141 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	529
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	1
Compound Is Canonicalized	Yes

Catalog	Name
18914422	Minoxidil
18914422-1g	Minoxidil
27428602-1g	Capastat sulfate (Capreomycin sulfate)
27428602	Capastat sulfate (Capreomycin sulfate)
90021020-1g	Capreomycin sulfate (Capastat sulfate)
90021020	Capreomycin sulfate (Capastat sulfate)
51732338-01	Framycetin sulfate
50313944	Paromomycin sulfate
10565375-01	Ammonium sulfate
12914940	Kanamycin A Sulfate

Catalog	Name
282895-01	Minoxidil Sulfate
KAC37392-01	Minoxidil sulfate-d10
GP8215-1g	Minoxidil sulfate salt
sc-218854	Minoxidil, Sulfate-d10
AR-M01970-01	Minoxidil-d10 Sulfate
sc-200987	Minoxidil sulfate (U-58838)
MBS6091009-01	Minoxidil, Sulfate (6-(1-Piperidinyl)-2,4-pyrimidinediamine-3-oxide Sulfate)
M3949-87D	Minoxidil, Sulfate (6- (1-Piperidinyl) -2,4-pyrimidinediamine-3-oxide Sulfate)
M3949-87E	Minoxidil, Sulfate-d10 (6- (1-Piperidinyl) -2,4-pyrimidinediamine-3-oxide Sulfate-d10)
MBS6113912-01	Minoxidil, Sulfate-d10 (6-(1-Piperidinyl)-2,4-pyrimidinediamine-3-oxide Sulfate-d10)