기본 정보
- CAS
135883-08-8- 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
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
- (S,S)-Asenapine Maleate
- 분자식
- C21H20ClNO5
- 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
Asenapine Impurity 5Asenapine Impurity 12 ((S,S)-Asenapine 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
135883-08-8- 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
- 형식 전하
- 0
- 복잡도
- 482
실험 및 물리화학적 성질
Human Drugs
Breast Feeding; Lactation; Milk, Human; Antipsychotic Agents
FDA approved drugs -> Active ingredient
EMA approved medicines: Human medicine
FDA approved drugs -> Active ingredient
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
화학 및 산업
약리 정보
FDA Pharmacological Classification
ASENAPINE MALEATE
Atypical Antipsychotic [EPC]
MeSH Pharmacological Classification
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.
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