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Serotinine Creatinine Sulfate

CAT: 0459-216515Size: 1 gDry Ice: NoHazardous: No
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CAT#:0459-216515Size:1 g
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CAS Number
61-47-2

Chemical Information

Serotonin creatinine sulfate monohydrate
CAS Number61-47-2
PubChem CID164531
IUPAC Name3-(2-aminoethyl)-1H-indol-5-ol;2-amino-3-methyl-4H-imidazol-5-one;sulfuric acid;hydrate
Molecular FormulaC14H23N5O7S
Molecular Weight405.43
Topological Polar Surface Area205
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity407
SMILES
CN1CC(=O)N=C1N.C1=CC2=C(C=C1O)C(=CN2)CCN.O.OS(=O)(=O)O
InChI
InChI=1S/C10H12N2O.C4H7N3O.H2O4S.H2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;1-7-2-3(8)6-4(7)5;1-5(2,3)4;/h1-2,5-6,12-13H,3-4,11H2;2H2,1H3,(H2,5,6,8);(H2,1,2,3,4);1H2
InChIKey
BKCXVJIGPVULPX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Serotonin creatinine sulfate monohydrate
CAS: 61-47-2
CID: 164531
Formula: C14H23N5O7S
MW: 405.43
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight405.43
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass405.13181926
Monoisotopic Mass405.13181926
Topological Polar Surface Area205 Ų
Heavy Atom Count27
Formal Charge0
Complexity407
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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FH24513-016-Hydroxytryptamine creatinine sulfate
MBS5751339Serotonin creatinine sulfate monohydrate
sc-215845CSerotonin creatinine sulfate complex
GTR19222138-014-Hydroxytryptamine creatinine sulfate
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