General Information of the Compound
| Compound ID |
CP0046343
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| Compound Name |
(6aS,13bR)-11-Chloro-7-methyl-5,6a,7,8,9,13b-hexahydro-6H-7-aza-benzo[6,7]cyclohepta[1,2-a]naphthalen-12-ol
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| Synonyms |
(6aS,13bR)-11-chloro-7-methyl-6,6a,7,8,9,13b-hexahydro-5H-benzo[d]naphtho[2,1-b]azepin-12-ol
0X748O646K
112108-01-7
5H-Benzo(d)naphth(2,1-b)azepin-12-ol, 11-chloro-6,6a,7,8,9,13b-hexahydro-7-methyl-, trans-(-)-
5H-Benzo[d]naphth[2,1-b]azepin-12-ol,
6,7,7a,8,9,13b-Hexahydro-3-chloro-2-hydroxy-N-methyl-5H-benzo(d)naphtho(2,1b)azepine
CHEMBL298406
DSSTox_CID_23814
DSSTox_GSID_43814
DSSTox_RID_80075
Ecopipam
Ecopipam [INN]
Sch 39166
Sch-39166
Sch39166
UNII-0X748O646K
ecopipam (controlled-release, Lesch Nyhan syndrome/Tourette's syndrome/compulsive gambling). Psyadon Pharmaceuticals
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| Structure |
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| Formula |
C19H20ClNO
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| Molecular Weight |
313.828
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| Canonical SMILES |
CN1CCc2cc(Cl)c(O)cc2[C@@H]2[C@@H]1CCc1ccccc21
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| InChI |
InChI=1S/C19H20ClNO/c1-21-9-8-13-10-16(20)18(22)11-15(13)19-14-5-3-2-4-12(14)6-7-17(19)21/h2-5,10-11,17,19,22H,6-9H2,1H3/t17-,19+/m0/s1
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| InChIKey |
DMJWENQHWZZWDF-PKOBYXMFSA-N
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| CAS |
112108-01-7
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01195, D(1A) dopamine receptor
Protein ID: PT01169, D(1B) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor
Clinical Information about the Compound