Asenapine Maleate

HCID 6917875CAS 85650-56-2

기본 정보

표준 SMILES
CN1C[C@@H]2c3ccccc3Oc3ccc(Cl)cc3[C@H]2C1.O=C(O)/C=C\C(=O)O
InChIKey
GMDCDXMAFMEDAG-CHHFXETESA-N
분자식
C21H20ClNO5
평균 분자량
401.8 g/mol
단동위원소 질량
401.10300042

개요

(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.

이름 및 식별자

우선 이름
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
영어명
Asenapine Maleate
분자식
C17H16ClNO.C4H4O4
분자량
401.84

이름 및 동의어

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
이름 더 보기
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

데이터베이스 식별자

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

물성

구조 계산 물성

극성 표면적
87.1 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
6
회전 가능 결합 수
2
무거운 원자 수
28

실험 및 물리화학적 성질

Human Drugs · 4건

Breast Feeding; Lactation; Milk, Human; Antipsychotic Agents

FDA approved drugs -> Active ingredient

EMA approved medicines: Human medicine

FDA approved drugs -> Active ingredient

물리화학적 성질

녹는점
141 · 141-145°
인화점
9 ℃ · 9℃
저장 조건
2 · 2-8°C
용해도
2 O: · H2O: ≥10mg/mL
산도 계수 (pKa)
1 · pK1 <3, pK2 7.52, pK3 8.51(at 25℃)
물리적 상태
가루

화학적 성질

White Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (98.4%)

독성 정보

Effects During Pregnancy and Lactation◉ Summary of Use during Lactation

안전 데이터

wgk
3
ridadr
UN1230 - class 3 - PG 2 - Methanol, solution
HS 번호
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

화학 및 산업

약리 정보

FDA Pharmacological Classification · 2건

ASENAPINE MALEATE

Atypical Antipsychotic [EPC]

MeSH Pharmacological Classification · 1건

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.

응용 분야 · 3건

개요Asenapine, 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.

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

일반 설명Asenapine is a new atypical antipsychotic developed for the treatment of schizophrenia and acute mania associated with bipolar disorder. The drug is marketed under the trade names Saphris and Sycrest. This certified solution standard is suitable for LC/MS or GC/MS applications in clinical toxicology, forensic testing, or pharmaceutical research.

상·하류 제품 정보

하류 제품

공급사50 곳

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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