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Substance Name: Adipic acid, compd. with erythro-alpha-(1-dimethylaminoethyl) 3-indolemethanol, hydrate (1:2:1)
RN: 102366-86-9
InChIKey: MGXKDEPZNXQPPU-WZMHDNEZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H36-N4-O2.C6-H10-O4.H2-O

Molecular Weight

  • 600.7522
 
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Names and Synonyms

Synonyms

  • 3-Indolemethanol, alpha-(1-dimethylaminoethyl)-, adipate, hydrate (2:1:1), erythro-
  • erythro-alpha-(1-Dimethylaminoethyl) 3-indolemethanol, adipate, hydrate (2:1:1)

Systematic Name

  • Adipic acid, compd. with erythro-alpha-(1-dimethylaminoethyl) 3-indolemethanol, hydrate (1:2:1)

Registry Numbers

CAS Registry Number

  • 102366-86-9

System Generated Number

  • 0102366869

Molecular Formulas

Molecular Formula

  • C26-H36-N4-O2.C6-H10-O4.H2-O

Molecular Formula Fragments

  • C26-H36-N4-O2
  • C6-H10-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C13H18N2O.C6H10O4.H2O/c2*1-9(15(2)3)13(16)11-8-14-12-7-5-4-6-10(11)12;7-5(8)3-1-2-4-6(9)10;/h2*4-9,13-14,16H,1-3H3;1-4H2,(H,7,8)(H,9,10);1H2/t2*9-,13?;;/m11../s1

InChIKey

MGXKDEPZNXQPPU-WZMHDNEZSA-N

Smiles

C[C@H](C(c1c[nH]c2c1cccc2)O)N(C)C.C[C@H](C(c1c[nH]c2c1cccc2)O)N(C)C.C(CCC(=O)O)CC(=O)O.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 350mg/kg (350mg/kg)   Pharmaceutical Chemistry Journal Vol. 3, Pg. 203, 1969.
mouse LD50 intraperitoneal 350mg/kg (350mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) Pharmaceutical Chemistry Journal Vol. 3, Pg. 203, 1969.