Asenapine Maleate

HCID 6917875CAS 85650-56-2
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
CN1C[C@@H]2c3ccccc3Oc3ccc(Cl)cc3[C@H]2C1.O=C(O)/C=C\C(=O)O
InChIKey
GMDCDXMAFMEDAG-CHHFXETESA-N
Summenformel
C21H20ClNO5
Durchschnittliche Molmasse
401,8 g/mol
Monoisotopische Masse
401,10300042

Überblick

(S,S)-asenapine maleate is a maleate salt obtained by combining equimolar amounts of (S,S)-asenapine and maleic acid. It contains a (S,S)-asenapine(1+). It is an enantiomer of a (R,R)-asenapine maleate.

Namen und Bezeichner

Bevorzugter Name
Asenapine Maleate
IUPAC
(Z)-but-2-enedioic acid;(2S,6S)-9-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene
Englischer Name
Asenapine Maleate
Summenformel
C17H16ClNO.C4H4O4
Molmasse
401.84

Namen und Synonyme

Asenapine maleate85650-56-2SaphrisOrg-5222Org 5222Asenapine (as maleate)CU9463U2E2DTXSID301017360trans-5-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz(2,3:6,7)oxepino(4,5-c)pyrrole maleateRefChem:56546CHEBI:71245DTXCID401475569
Weitere Namen anzeigen
NSC62790NSC 62790NSC-62790Asenne maleateUnii-cu9463U2E2Org5222 MaleateSaphris MaleateOrg-5222 MaleateOrg 5222 Maleate
5-chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz(2,3-6,7)oxepino(4,5-c)pyrrole1H-Dibenz(2,3:6,7)oxepino(4,5-c)pyrrole, 5-chloro-2,3,3a,12b-tetrahydro-2-methyl-,(3aR,12bR)-rel-, (2Z)-2-butenedioate (1:1)288-064-8Asenapine (maleate)(S,S)-Asenapine MaleateAsenapine maleate [USAN]MFCD00900588(Z)-but-2-enedioic acid;(2S,6S)-9-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene

Datenbank-Bezeichner

CAS
85650-56-2
PubChem CID
6917875
DTXSID
DTXSID301017360
ChEMBL
CHEMBL3544974
ChEBI
CHEBI:71248
UNII
CU9463U2E2
EC Number
288-064-8

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA)
87,1 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
6
Frei drehbare Bindungen
2
Schwere Atome
28

Experimentelle und physikochemische Eigenschaften

Human Drugs · 4 Einträge

Breast Feeding; Lactation; Milk, Human; Antipsychotic Agents

FDA approved drugs -> Active ingredient

EMA approved medicines: Human medicine

FDA approved drugs -> Active ingredient

Physikochemische Eigenschaften

Schmelzpunkt
141 · 141-145°
Flammpunkt
9 ℃ · 9℃
storage temp.
2 · 2-8°C
Löslichkeit
2 O: · H2O: ≥10mg/mL
pka
1 · pK1 <3, pK2 7.52, pK3 8.51(at 25℃)
Aggregatzustand
powder

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (98.4%): Toxic if swallowed [Danger Acute toxicity, oral]

P203, P260, P261, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 63 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (98.4%)

Toxikologische Informationen

Effects During Pregnancy and Lactation◉ Summary of Use during Lactation

Sicherheitsdaten

wgk
3
ridadr
UN1230 - class 3 - PG 2 - Methanol, solution
hs_code
29339900
risk_code
22-36/37/38-50/53-39/23/24/25-23/24/25-11
hazard_code
Xn,N,T,F
safety_code
26-60-61-45-36/37-16

Chemie und Industrie

Pharmakologische Informationen

FDA Pharmacological Classification · 2 Einträge

ASENAPINE MALEATE

Atypical Antipsychotic [EPC]

MeSH Pharmacological Classification · 1 Eintrag

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.

Anwendungen · 2 Einträge

BeschreibungAsenapine, a dual antagonist of dopamine D2and serotonin 5-HT2receptors, was launched for the acute treatment of schizophreniaand manic or mixed episodes associated with bipolar I disorder in adults. Asenapine exhibits high affinity for serotonin 5-HT1A, 5-HT1B, 5-HT2A, 5-HT2B, 5-HT2C, 5-HT5, 5-HT6, and 5-HT7 receptors (Ki = 2.5, 4.0, 0.06, 0.16, 0.03, 1.6, 0.25, and 0.13 nM, respectively); dopamine D1, D2, D3, and D4 receptors (Ki = 1.4, 0.42, 1.1, and 1.3 nM, respectively); a1- and a2-adrenergic receptors (Ki = 1.2 and 1.2 nM, respectively); and histamine H1 receptors (Ki = 1.0 nM), and moderate affinity for H2 receptors (Ki = 6.2 nM). In in vitro assays, asenapine acts as an antagonist at these receptors. Asenapine has no appreciable affinity for muscarinic cholinergic receptors (e.g., Ki = 8128 nM for M1). Despite its potent binding affinity for multiple receptors, the efficacy of asenapine in schizophrenia is thought to be primarily mediated through a combination of antagonist activity at D2 and 5-HT2A receptors.

VerwendenAsenapine Maleate is a 5-HT receptor antagonist developed for the treatment of acute schizophrenia and bipolar mania.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
济南百隆化学有限公司[email protected] · [email protected]
Shochem(Shanghai) Co.,Ltd86-21-50800795 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

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