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Substance Name: 2,5-Methanoindan-4-ol, hexahydro-4-(4-methyl-1-piperazinyl)methyl-, dihydrochloride
RN: 59177-82-1
InChIKey: XBILFMNOZBMISC-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H28-N2-O.2Cl-H

Molecular Weight

  • 380.482
 
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Names and Synonyms

Synonym

  • 4-(4-Methyl-1-piperazinyl)methylprotoadamantan-4-ol, dihydrochloride

Systematic Name

  • 2,5-Methanoindan-4-ol, hexahydro-4-(4-methyl-1-piperazinyl)methyl-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 59177-82-1

System Generated Number

  • 0059177821

Molecular Formulas

Molecular Formula

  • C16-H28-N2-O.2Cl-H

Molecular Formula Fragments

  • C16-H28-N2-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H28N2O.C4H4O4/c1-17-4-6-18(7-5-17)11-16(19)14-3-2-13-8-12(9-14)10-15(13)16;5-3(6)1-2-4(7)8/h12-15,19H,2-11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

XBILFMNOZBMISC-BTJKTKAUSA-N

Smiles

C(=C/C(=O)O)\C(O)=O.C1[C@@H]2C[C@@H]3C[C@@H]([C@@]2(O)CN2CCN(CC2)C)[C@@H](C3)C1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 371mg/kg (371mg/kg)   Journal of Medicinal Chemistry. Vol. 19, Pg. 967, 1976.
mouse LD50 oral 708mg/kg (708mg/kg)   Journal of Medicinal Chemistry. Vol. 19, Pg. 967, 1976.