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MTR-105

CAT: 0013-GTR19210166-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210166-01Size:25 mg
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Description
MTR-105 is a small molecule inhibitor of nitric oxide synthase (NOS) . It is used in research to study the role of NO signaling in cardiovascular and neurological systems, applicable in both in vitro assays and in vivo animal models.
CAS Number
21704-46-1
Field of Research
Signal Transduction
Smiles
CCSC (N) =N.CCOP (O) (=O) OCC
Molecular Formula
C7H19N2O4PS
Molecular Weight
258.2728
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Carbamimidothioic acid, ethyl ester, diethyl phosphate (1:1)
CAS Number21704-46-1
PubChem CID210823
IUPAC Namediethyl hydrogen phosphate;ethyl carbamimidothioate
Molecular FormulaC7H19N2O4PS
Molecular Weight258.28
Topological Polar Surface Area131
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count15
Formal Charge0
Complexity156
SMILES
CCOP(=O)(O)OCC.CCSC(=N)N
InChI
InChI=1S/C4H11O4P.C3H8N2S/c1-3-7-9(5,6)8-4-2;1-2-6-3(4)5/h3-4H2,1-2H3,(H,5,6);2H2,1H3,(H3,4,5)
InChIKey
CSYSULGPHGCBQD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Carbamimidothioic acid, ethyl ester, diethyl phosphate (1:1)
CAS: 21704-46-1
CID: 210823
Formula: C7H19N2O4PS
MW: 258.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.28
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass258.08031526
Monoisotopic Mass258.08031526
Topological Polar Surface Area131 Ų
Heavy Atom Count15
Formal Charge0
Complexity156
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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