(S)-(-)-2,3,5,6-tetrahydro-6-phenylimidazo[2,1-b]selenazole hydrochloride

ID: ALA3245818

PubChem CID: 90672328

Max Phase: Preclinical

Molecular Formula: C11H13ClN2Se

Molecular Weight: 251.19

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  Cl.c1ccc([C@H]2CN3CC[Se]C3=N2)cc1

Standard InChI:  InChI=1S/C11H12N2Se.ClH/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10;/h1-5,10H,6-8H2;1H/t10-;/m1./s1

Standard InChI Key:  KIQKROHFRMCXBU-HNCPQSOCSA-N

Molfile:  

     RDKit          2D

 15 16  0  0  0  0  0  0  0  0999 V2000
   11.8840  -15.7799    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2212  -14.9674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6336  -13.6965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9686  -14.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3030  -14.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0462  -14.9674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7126  -15.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3814  -14.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1282  -14.1853    0.0000 Se  0  0  0  0  0  2  0  0  0  0  0  0
    6.1861  -13.9313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0152  -13.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2313  -12.8682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6174  -13.4209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7929  -14.2314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5766  -14.4824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0
  5  3  2  0
  3  4  1  0
  4  2  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  5  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
  4 10  1  6
M  END

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 251.19

Molecular Weight (Monoisotopic): 252.0166

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CX Acidic pKa: ┄

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References

1. Hanson RN, Giese RW, Davis MA, Costello SM..  (1978)  Selenium-sulfur analogues. 1. Synthesis and biochemical evaluation of selenotetramisole.,  21  (5): [PMID:566327] [10.1021/jm00203a021]

Source

Source(1):

• Scientific Literature