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Ecopipam

HCID 107930
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Grundinformationen

CAS
112108-01-7
Standard-SMILES
CN1CCc2cc(Cl)c(O)cc2[C@H]2c3ccccc3CC[C@@H]21
InChIKey
DMJWENQHWZZWDF-PKOBYXMFSA-N
Summenformel
C19H20ClNO
Durchschnittliche Molmasse
313,8 g/mol
Monoisotopische Masse
313,123342

Überblick

(6aS,13bR)-11-chloro-7-methyl-5,6,6a,8,9,13b-hexahydronaphtho[1,2-a][3]benzazepin-12-ol is a benzazepine.

Namen und Bezeichner

Bevorzugter Name
Ecopipam
IUPAC
(6aS,13bR)-11-chloro-7-methyl-5,6,6a,8,9,13b-hexahydronaphtho[1,2-a][3]benzazepin-12-ol
Englischer Name
Sch 39166
Summenformel
C19H20ClNO
Molmasse
313.82

Namen und Synonyme

Ecopipam112108-01-7Sch-39166Sch39166DTXSID80438140X748O646KDTXCID6023814(6aS,13bR)-11-chloro-7-methyl-6,6a,7,8,9,13b-hexahydro-5H-benzo[d]naphtho[2,1-b]azepin-12-ol5H-Benzo(d)naphth(2,1-b)azepin-12-ol, 11-chloro-6,6a,7,8,9,13b-hexahydro-7-methyl-, trans-(-)-ecopipamum(6aS,13bR)-11-chloro-7-methyl-6,6a,7,8,9,13b-hexahydro-5H-benzo(d)naphtho(2,1-b)azepin-12-olRefChem:136266
Weitere Namen anzeigen
Sch 39166PSYRX 101Ecopipam-d4Unii-0X748o646k[13C6]-EcopipamECOPIPAM(6 AS,13 BR)-FORM6,7,7A,8,9,13B-Hexahydro-3-chloro-2-hydroxy-N-methyl-5H-benzo(D)naphtho(2,1B)azepine(6aS)-11-Chloro-6,6aβ,7,8,9,13bα-hexahydro-7-methyl-5H-benzo[d]naphth[2,1-b]azepin-12-ol
(1R,11S)-5-chloro-10-methyl-10-azatetracyclo(9.8.0.02,?.01?,1?)nonadeca-2,4,6,14,16,18-hexaen-4-olEcopipam [INN](6aS,13bR)-11-chloro-7-methyl-5,6,6a,8,9,13b-hexahydronaphtho[1,2-a][3]benzazepin-12-olPSYRX-101CHEMBL2984065H-Benzo(d)naphth(2,1-b)azepin-12-ol, 11-chloro-6,6a,7,8,9,13b-hexahydro-7-methyl-, (6aS,13bR)-(-)-(6aS,13bR)-11-Chloro-6,6a,7,8,9,13b-hexahydro-7-methyl-5H-benzo(d)naphth(2,1-b)azepin-12-olCAS-112108-01-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP
4,4
Polarare Oberfläche (TPSA)
23,5 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
22
Formalladung
0
Komplexität
403

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Listed in ZINC15

Physikochemische Eigenschaften

Siedepunkt
451.9 · 451.9±45.0 °C(Predicted)
Dichte
1.22 · 1.220±0.06 g/cm3(Predicted)
pka
8.73 · 8.73±0.20(Predicted)

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 2 Einträge

Agents that control agitated psychotic behavior, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect. They are used in SCHIZOPHRENIA; senile dementia; transient psychosis following surgery; or MYOCARDIAL INFARCTION; etc. These drugs are often referred to as neuroleptics alluding to the tendency to produce neurological side effects, but not all antipsychotics are likely to produce such effects. Many of these drugs may also be effective against nausea, emesis, and pruritus.

Drugs that bind to but do not activate DOPAMINE RECEPTORS, thereby blocking the actions of dopamine or exogenous agonists. Many drugs used in the treatment of psychotic disorders (ANTIPSYCHOTIC AGENTS) are dopamine antagonists, although their therapeutic effects may be due to long-term adjustments of the brain rather than to the acute effects of blocking dopamine receptors. Dopamine antagonists have been used for several other clinical purposes including as ANTIEMETICS, in the treatment of Tourette syndrome, and for hiccup. Dopamine receptor blockade is associated with NEUROLEPTIC MALIGNANT SYNDROME.

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北京华美互利生物化工010-56205725 · [email protected]
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台州川旭医药科技有限公司[email protected] 15165038510 · [email protected]
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Datenbank-Bezeichner

CAS
112108-01-7
PubChem CID
107930
DTXSID
DTXSID8043814
ChEMBL
CHEMBL298406
ChEBI
CHEBI:93645
UNII
0X748O646K
Nikkaji
J323.080E
BOC Sciences
16314854226; +8616314854226 · [email protected]
南京熠康达医药科技有限公司18118984557; 18118984557 · [email protected]
TargetMol中国(陶术生物)4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]