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5,7-Dihydroxytryptamine creatinine Sulfate

CAT: 0572-TRC-D446935-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D446935-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
39929-27-6
Synonyms
2-Amino-1,5-dihydro-1-methyl-4H-imidazol-4-one compd. with 3-(2-aminoethyl)-1H-indole-5,7-diol and sulfuric acid; 2-Amino-1,5-dihydro-1-methyl-4H-imidazol-4-one compd. with 3-(2-aminoethyl)-1H-indole-5,7-diol sulfate; 3-(2-Aminoethyl)-1H-indole-5,7-diol compd. with 2-amino-1,5-dihydro-1-methyl-4H-imidazol-4-one sulfate
Hazard Statement
No Data Available
Smiles
NC(N(C)C1)=NC1=O.O=S(O)(O)=O.NCCC2=CNC3=C2C=C(C=C3O)O
Molecular Formula
C10H12N2O2 • C4H7N3O • H2O4S
Molecular Weight
403.41
InChI
InChI=1S/C10H12N2O2.C4H7N3O.H2O4S/c11-2-1-6-5-12-10-8(6)3-7(13)4-9(10)14;1-7-2-3(8)6-4(7)5;1-5(2,3)4/h3-5,12-14H,1-2,11H2;2H2,1H3,(H2,5,6,8);(H2,1,2,3,4)
Shipping Conditions
Room Temperature

Chemical Information

4H-Imidazol-4-one, 2-amino-1,5-dihydro-1-methyl-, compd. with 3-(2-aminoethyl)-1H-indole-5,7-diol and sulfuric acid (1:1:1)
CAS Number39929-27-6
PubChem CID135502808
IUPAC Name3-(2-aminoethyl)-1H-indole-5,7-diol;2-amino-3-methyl-1,4-dihydroimidazol-3-ium-5-one;hydrogen sulfate
Molecular FormulaC14H21N5O7S
Molecular Weight403.41
Topological Polar Surface Area226
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity437
SMILES
C[N+]1=C(NC(=O)C1)N.C1=C(C=C(C2=C1C(=CN2)CCN)O)O.OS(=O)(=O)[O-]
InChI
InChI=1S/C10H12N2O2.C4H7N3O.H2O4S/c11-2-1-6-5-12-10-8(6)3-7(13)4-9(10)14;1-7-2-3(8)6-4(7)5;1-5(2,3)4/h3-5,12-14H,1-2,11H2;2H2,1H3,(H2,5,6,8);(H2,1,2,3,4)
InChIKey
BXYXUOWJXUUTQZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4H-Imidazol-4-one, 2-amino-1,5-dihydro-1-methyl-, compd. with 3-(2-aminoethyl)-1H-indole-5,7-diol and sulfuric acid (1:1:1)
CAS: 39929-27-6
CID: 135502808
Formula: C14H21N5O7S
MW: 403.41
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight403.41
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass403.11616920
Monoisotopic Mass403.11616920
Topological Polar Surface Area226 Ų
Heavy Atom Count27
Formal Charge0
Complexity437
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
PBA92927-015,7-Dihydroxytryptamine creatinine sulfate
T4860-015-Hydroxytryptamine creatinine sulfate monohydrate
H-8100-015-Hydroxytryptamine creatinine sulfate (salt) monohydrate
HY-W010973S-015-Hydroxytryptamine-d4 creatinine sulfate monohydrate
HY-W010973R5-Hydroxytryptamine creatinine sulfate monohydrate (Standard)
216515Serotinine Creatinine Sulfate
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MBS5751339Serotonin creatinine sulfate monohydrate
sc-215845CSerotonin creatinine sulfate complex
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