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Argimesna (ethanesulfonate)

CAT: 0804-HY-115389Size: 1 EachDry Ice: NoHazardous: No
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Description
Argimesna ethanesulfonate is a uroprotective agent. Argimesna ethanesulfonate is promising for research of hemorrhagic cystitis in cancer chemotherapy[1][2].
CAS Number
106854-46-0
UNSPSC
12352211
Target
Others
Related Pathways
Others
Field of Research
Inflammation/Immunology
Smiles
N[C@@H](CCCNC(N)=N)C(O)=O.SCCS(=O)(O)=O
Molecular Formula
C8H20N4O5S2
Molecular Weight
316.40
References & Citations
[1]Frustaci S, et al. Feasibility and efficacy of arginine 2-mercaptoethanesulfonate (ARGIMESNA) in the prevention of hemorragic cystitis from ifosfamide (IFO) . Ann Oncol. 1992 Apr;3 Suppl 2:S115-8.|[2]Miglioli P A, et al. A Comparative Analysis of the Urinary Excretion Profiles of Mesna and Argimesna Following Oral Administration to Healthy Volunteers[J]. Drug Investigation, 1992, 4 (5) : 391-394.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Argimesna
CAS Number106854-46-0
PubChem CID65897
IUPAC Name(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-sulfanylethanesulfonic acid
Molecular FormulaC8H20N4O5S2
Molecular Weight316.4
Topological Polar Surface Area191
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count19
Formal Charge0
Complexity295
SMILES
C(C[C@@H](C(=O)O)N)CN=C(N)N.C(CS(=O)(=O)O)S
InChI
InChI=1S/C6H14N4O2.C2H6O3S2/c7-4(5(11)12)2-1-3-10-6(8)9;3-7(4,5)2-1-6/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);6H,1-2H2,(H,3,4,5)/t4-;/m0./s1
InChIKey
MZDDDSNBRVMDIH-WCCKRBBISA-N
Chemical Structure
2D Structure
2D structure of Argimesna
CAS: 106854-46-0
CID: 65897
Formula: C8H20N4O5S2
MW: 316.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight316.4
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass316.08751210
Monoisotopic Mass316.08751210
Topological Polar Surface Area191 Ų
Heavy Atom Count19
Formal Charge0
Complexity295
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes