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Substance Name: 2H-1-Benzopyran-6-methanol, 3,4-dihydro-4-(4-(2-methoxyphenyl)-1-piperazinyl)-, dihydrochloride
RN: 81816-76-4
InChIKey: VJHOQZMPVXYTGB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H26-N2-O3.2Cl-H

Molecular Weight

  • 427.369
 
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Names and Synonyms

Synonym

  • 3,4-Dihydro-4-(4-(2-methoxyphenyl)-1-piperazinyl)-2H-1-benzopyran-6-methanol dihydrochloride

Systematic Name

  • 2H-1-Benzopyran-6-methanol, 3,4-dihydro-4-(4-(2-methoxyphenyl)-1-piperazinyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 81816-76-4

System Generated Number

  • 0081816764

Molecular Formulas

Molecular Formula

  • C21-H26-N2-O3.2Cl-H

Molecular Formula Fragments

  • C21-H26-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H26N2O3.2ClH/c1-25-21-5-3-2-4-19(21)23-10-8-22(9-11-23)18-13-17-12-16(14-24)6-7-20(17)26-15-18;;/h2-7,12,18,24H,8-11,13-15H2,1H3;2*1H

InChIKey

VJHOQZMPVXYTGB-UHFFFAOYSA-N

Smiles

Cl.Cl.N1(c2c(OC)cccc2)CCN(CC1)[C@@H]1Cc2cc(CO)ccc2OC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 383mg/kg (383mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 20, Pg. 1063, 1981.