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슈39166

Ecopipam

HCID 107930
노트반응
기본 정보개요이름 및 식별자물성화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
112108-01-7
표준 SMILES
CN1CCc2cc(Cl)c(O)cc2[C@H]2c3ccccc3CC[C@@H]21
InChIKey
DMJWENQHWZZWDF-PKOBYXMFSA-N
분자식
C19H20ClNO
평균 분자량
313.8 g/mol
단동위원소 질량
313.123342

개요

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

이름 및 식별자

우선 이름
Ecopipam
IUPAC
(6aS,13bR)-11-chloro-7-methyl-5,6,6a,8,9,13b-hexahydronaphtho[1,2-a][3]benzazepin-12-ol
현지명
슈39166
영어명
Sch 39166
분자식
C19H20ClNO
분자량
313.82

이름 및 동의어

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
이름 더 보기
슈39166Sch 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

물성

구조 계산 물성

XLogP
4.4
극성 표면적
23.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
22
형식 전하
0
복잡도
403

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

물리화학적 성질

끓는 점
451.9 · 451.9±45.0 °C(Predicted)
밀도
1.22 · 1.220±0.06 g/cm3(Predicted)
산도 계수 (pKa)
8.73 · 8.73±0.20(Predicted)

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

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.

공급사13 곳

北京华美互利生物化工010-56205725 · [email protected]
上海稳同科技有限公司02151600108 13062666369 · [email protected]
上海喀露蓝科技有限公司18149758185 18149758185 · [email protected]
台州川旭医药科技有限公司[email protected] 15165038510 · [email protected]
TLC梯尔希(南京)药物研发有限公司18012923235 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences

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데이터베이스 식별자

CAS
112108-01-7
PubChem CID
107930
DTXSID
DTXSID8043814
ChEMBL
CHEMBL298406
ChEBI
CHEBI:93645
UNII
0X748O646K
Nikkaji
J323.080E
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]