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Substance Name: 5,7-Dihydroxytryptamine creatinine
RN: 36928-25-3
InChIKey: UGTUOBCWMROLQG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H12-N2-O2.C4-H7-N3-O.H2-O4-S.2H2-O

Molecular Weight

  • 403.414
 
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Names and Synonyms

Name of Substance

  • 5,7-Dihydroxytryptamine creatinine

Synonym

  • 5,6-Dht creatinine sulfate hydrate

Systematic Name

  • Indole-5,6-diol, 3-(2-aminoethyl)-, compd. with 2-amino-1,5-dihydro-1-methyl-4H-imidazol-4-one, sulfate, hydrate (1:1:1:2)

Registry Numbers

CAS Registry Number

  • 36928-25-3

System Generated Number

  • 0036928253

Molecular Formulas

Molecular Formula

  • C10-H12-N2-O2.C4-H7-N3-O.H2-O4-S.2H2-O

Molecular Formula Fragments

  • C10-H12-N2-O2
  • C4-H7-N3-O
  • COMPONENT
  • H2-O
  • H2-O4-S

Structure Descriptors

InChI

1S/C10H12N2O2.C4H7N3O.H2O4S/c11-2-1-6-5-12-8-4-10(14)9(13)3-7(6)8;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

UGTUOBCWMROLQG-UHFFFAOYSA-N

Smiles

c12c(cc(O)c(c2)O)[nH]cc1CC[NH3+].C1N(C([NH2+])=NC1=O)C.S(=O)(=O)([O-])[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intracrebral 7864ug/kg (7.864mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Pharmacology, Biochemistry and Behavior. Vol. 2, Pg. 769, 1974.