Dianicline
(1R,10S)-9-oxa-4,13-diazatetracyclo[11.2.1.01,10.03,8]hexadeca-3(8),4,6-triene
Molecular Identity
Dianicline
(1R,10S)-9-oxa-4,13-diazatetracyclo[11.2.1.01,10.03,8]hexadeca-3(8),4,6-triene
PubChem CID: 10176764
2D Structure
Properties
C13H16N2O
Molecular Formula
216.28
Molecular Weight
g/mol
216.1263
Exact Mass
Da
1.4
XLogP
Drug-like (Lipinski: < 5)
25.4
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
3
H-Bond Acceptors
296
Complexity
SMILES
Canonical SMILES
SMILES: C1CN2CCC3(C2)C1OC4=C(C3)N=CC=C4Isomeric SMILES
SMILES: C1CN2CC[C@@]3(C2)[C@H]1OC4=C(C3)N=CC=C4Synonyms(20)
Dianicline292634-27-6dianiclinaSSR591813Y0SNM34C6OSSR-591813DTXSID308703145a,6,9,10-Tetrahydro-7H,11H-8,10a-methanopyrido(2',3'-5,6)pyrano(2,3-d)azepinedianiclinumRefChem:132655DTXCID201509829(1R,10S,13S)-9-oxa-4,13-diazatetracyclo(11.2.1.0^(1,10).0^(3,8))hexadeca-3(8),4,6-trieneDianicline dihydrochlorideDianicline [INN]CHEMBL187927
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Dianicline
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