Mesna-d4

CAT: 1596-AR-M04263-05Size: 150Dry Ice: NoHazardous: No

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CAT#:1596-AR-M04263-05Size:150

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CAS Number

1189479-73-9

Molecular Formula

C2HD4NaO3S2

Molecular Weight

168.19

API Name

Mesna

Chemical Information

Mesna-d4 (may contain up to 10% disulfide)

CAS Number	1189479-73-9
PubChem CID	45039698
IUPAC Name	sodium 1,1,2,2-tetradeuterio-2-sulfanylethanesulfonate
Molecular Formula	C2H5NaO3S2
Molecular Weight	168.21
Topological Polar Surface Area	66.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	8
Formal Charge	0
Complexity	123

SMILES

[2H]C([2H])(C([2H])([2H])S(=O)(=O)[O-])S.[Na+]

InChI

InChI=1S/C2H6O3S2.Na/c3-7(4,5)2-1-6;/h6H,1-2H2,(H,3,4,5);/q;+1/p-1/i1D2,2D2;

InChIKey

XOGTZOOQQBDUSI-PBCJVBLFSA-M

Chemical Structure

2D Structure

CAS: 1189479-73-9

CID: 45039698

Formula: C2H5NaO3S2

MW: 168.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	168.21
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	167.98288763
Monoisotopic Mass	167.98288763
Topological Polar Surface Area	66.6 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	123
Isotope Atom Count	4
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

Catalog	Name
TRC-M225752-50MG	Mesna-d4 (contain disulfide)
A8469-10000	Mesna
sc-218698A	Mesna-d4 (may contain up to 10% disulfide)