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546C88

CAT: 0931-T24982-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T24982-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
156706-47-7
Target
Endogenous Metabolite, Others, NO Synthase
Related Pathways
Metabolism, Others, Immunology/Inflammation
Bioactivity
546C88 is an inhibitor of nitric oxide synthase.
Smiles
C([C@@H](C(O)=O)N)CCNC(NC)=N.Cl
Molecular Formula
C7H17ClN4O2
Molecular Weight
224.69
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

546C88
CAS Number156706-47-7
PubChem CID177980
IUPAC Name(2S)-2-amino-5-[(N'-methylcarbamimidoyl)amino]pentanoic acid;hydrochloride
Molecular FormulaC7H17ClN4O2
Molecular Weight224.69
Topological Polar Surface Area114
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count14
Formal Charge0
Complexity193
SMILES
CN=C(N)NCCC[C@@H](C(=O)O)N.Cl
InChI
InChI=1S/C7H16N4O2.ClH/c1-10-7(9)11-4-2-3-5(8)6(12)13;/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11);1H/t5-;/m0./s1
InChIKey
QYGXVJHXZUSLQC-JEDNCBNOSA-N
Chemical Structure
2D Structure
2D structure of 546C88
CAS: 156706-47-7
CID: 177980
Formula: C7H17ClN4O2
MW: 224.69
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight224.69
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass224.1040035
Monoisotopic Mass224.1040035
Topological Polar Surface Area114 Ų
Heavy Atom Count14
Formal Charge0
Complexity193
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

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CatalogName
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