Torsemide-d7

CAT: 0024-sc-220276Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-220276Size:1 mg

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CAS Number

1189375-06-1

Chemical Information

Torsemide-d7

CAS Number	1189375-06-1
PubChem CID	46783113
IUPAC Name	1-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-3-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]urea
Molecular Formula	C16H20N4O3S
Molecular Weight	355.5
XLogP	2.7
Topological Polar Surface Area	109
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	24
Formal Charge	0
Complexity	518

SMILES

[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NC(=O)NS(=O)(=O)C1=C(C=CN=C1)NC2=CC=CC(=C2)C

InChI

InChI=1S/C16H20N4O3S/c1-11(2)18-16(21)20-24(22,23)15-10-17-8-7-14(15)19-13-6-4-5-12(3)9-13/h4-11H,1-3H3,(H,17,19)(H2,18,20,21)/i1D3,2D3,11D

InChIKey

NGBFQHCMQULJNZ-UENXPIBQSA-N

Chemical Structure

2D Structure

CAS: 1189375-06-1

CID: 46783113

Formula: C16H20N4O3S

MW: 355.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	355.5
XLogP3	2.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	355.16954891
Monoisotopic Mass	355.16954891
Topological Polar Surface Area	109 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	518
Isotope Atom Count	7
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
sc-213059	Torsemide
sc-394035	Hydroxy Torsemide
sc-396255	4′-Hydroxy Torsemide
sc-474766	Torsemide Carboxylic Acid
sc-504461	N-1-Butyl-1-demethylethyl Torsemide
sc-497196	N-1-Ethyl-1-demethylethyl Torsemide
sc-490041	Glibornuride-d7
sc-488332	Isobutyraldehyde-D7
sc-476869	Propachlor-d7
sc-472971	Ticagrelor-d7