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팔리페리돈팔미테이트[USAN]

Paliperidone Palmitate

HCID 9852746
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
199739-10-1
표준 SMILES
CCCCCCCCCCCCCCCC(=O)OC1CCCn2c1nc(C)c(CCN1CCC(c3noc4cc(F)ccc34)CC1)c2=O
InChIKey
VOMKSBFLAZZBOW-UHFFFAOYSA-N
분자식
C39H57FN4O4
평균 분자량
664.9 g/mol
단동위원소 질량
664.43638447

개요

3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl hexadecanoate is a fatty acid ester obtained by the formal condensation of the carboxy group of hexadecanoic acid with the hydroxy group of 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one. It is a fatty acid ester, an organofluorine compound, a pyridopyrimidine, a heteroarylpiperidine and a member of 1,2-benzoxazoles.

이름 및 식별자

우선 이름
Paliperidone Palmitate
IUPAC
[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl] hexadecanoate
현지명
팔리페리돈팔미테이트[USAN]
영어명
Paliperidone Palmitate
분자식
C39H57FN4O4
분자량
664.89

이름 및 동의어

Paliperidone Palmitate199739-10-1Invega SustennaxeplionInvega TrinzaRo 92670RO92670ERZOFRIR8P8USM8FRPALIPERIDONE JANSSENSustenna, InvegaRo-92670
이름 더 보기
팔리페리돈팔미테이트[USAN]Paliperidone Palmitate [USAN]Paliperidone Palmitate-d31Palmitic acid paliperidone9-Hydroxyrisperidone palmitatePalmitone Palmitate Impurity 4Palmitone Palmitate Impurity 6Palmitone Palmitate Impurity 3
JNS010INVEGA HAFYERAJNS-010Palmitate, PaliperidoneErzofri extended-releaseHexadecanoic acid, 3-(2-(4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)ethyl)-6,7,8,9-tetrahydro-2-methyl-4-oxo-4H-pyrido(1,2-a)pyrimidin-9-yl esterHexadecanoic acid, 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl esterR-092670

데이터베이스 식별자

CAS
199739-10-1
PubChem CID
9852746
DTXSID
DTXSID70870217
ChEMBL
CHEMBL2107360
ChEBI
CHEBI:83808
UNII
R8P8USM8FR
EC Number
682-873-3

물성

구조 계산 물성

XLogP
10.1
극성 표면적
88.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
8
회전 가능 결합 수
20
무거운 원자 수
48
형식 전하
0
복잡도
1,090

실험 및 물리화학적 성질

Human Drugs · 3건

FDA approved drugs -> Active ingredient

EMA approved medicines: Human medicine

FDA approved drugs -> Active ingredient

물리화학적 성질

녹는점
110 · 110-115°C
끓는 점
736.3 · 736.3±70.0 °C(Predicted)
밀도
1.19 · 1.19
저장 조건
-20 °C · Sealed in dry,Store in freezer, under -20°C
용해도
Chloroform (Slightly), Ethyl Acetate (Slightly, Heated, Sonicated), Methanol (Slightly)
물리적 상태
고체
산도 계수 (pKa)
8.07 · 8.07±0.10(Predicted)
색상
미색부터 밝은 베이지까지
InChIKey
VOMKSBFLAZZBOW-UHFFFAOYSA-N
SMILES
C(OC1C2N(CCC1)C(=O)C(CCN1CCC(C3C4=C(ON=3)C=C(F)C=C4)CC1)=C(C)N=2)(=O)CCCCCCCCCCCCCCC

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P203, P260, P263, P264, P270, P280, P301+P316, P318, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 23 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (100%)

안전 데이터

wgk
WGK 3
Hazard Classifications
Acute Tox. 3 Oral
스토리지 클래스
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

약리 정보

FDA Pharmacological Classification · 2건

PALIPERIDONE PALMITATE

Atypical Antipsychotic [EPC]

MeSH Pharmacological Classification · 3건

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 SEROTONIN 5-HT2 RECEPTORS, thereby blocking the actions of SEROTONIN or SEROTONIN 5-HT2 RECEPTOR AGONISTS. Included under this heading are antagonists for one or more specific 5-HT2 receptor subtypes.

Compounds and drugs that bind to and inhibit or block the activation of DOPAMINE D2 RECEPTORS.

응용 분야 · 2건

개요Paliperidone palmitate is an atypical long acting antipsychotics,which can fast onset in acute phase and continuously improve the symptoms in maintenance phase. It has the solid efficacy and convenient ad[1]ministration,which offer a new option for schizophrenia treatment and will help patients to adhere the treatment and prevent relapse. As the sole long acting antipsychotics with monthly injection,it was approved by CFDA in 2011 and indicated for the acute and maintenance treatment of schizophrenia.

용도Paliperidone Palmitate is a long-acting injectable atypical antipsychotic used in the treatment of schizophrenia.

상·하류 제품 정보

상류 원료

3-(2-Chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-onePaliperidone팔미틴(무수화물)Paliperidone Impurity 7

공급사100 곳

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Shanghai Yingrui Biopharma Co.,Ltd21-33585366 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
湖北辰心化工有限公司18696113233 · [email protected]
深圳市简一生物科技有限公司0755-84826604 · [email protected]
上海波以尔化工有限公司[email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
南京普笙生物医药科技有限公司02557628056 15150681880 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
西安泽邦生物科技有限公司[email protected]
InvivoChem中国13549236410 · [email protected]
学研惠(武汉)科技有限公司15727060112 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
上海蒙佳纳化工有限公司+86-21-38682181 15900741819
上海诺宝化工有限公司+86(0)21 60484900
武汉普洛夫生物科技有限公司17612776928 · [email protected]
南京生利德生物科技有限公司025-57798810 18652991625 · [email protected]
山东博洛达生物科技有限公司0531-68651502 · [email protected]
北京通达维诺科技有限公司010-56371379
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
北京翔宇恒天医药技术有限公司010-88755821 13911359480;18612220856 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
南京熙泽医药科技有限公司025-66023220 15250997978 · [email protected]
TargetMol中国(陶术生物)021-021-33632979 15002134094 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [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 Sciences16314854226; +8616314854226 · [email protected]
上海博熠生物医药科技有限公司021-021-54331997 18321536537 · [email protected]
吉林联本科技发展有限公司0432-62601618 13756693631 · [email protected]
上海润泰医药科技有限公司152-6236-2504 18019700392 · [email protected]
湖北辰心化工有限公司17362916295 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
Beijing Yibai Biotechnology Co., Ltd0086-182-6772-3597 · [email protected]
武汉多普乐生物医药有限公司+86-02787215551 19945035818 · [email protected]
BOC Sciences16314854226 · [email protected]
上海润栖医药科技有限公司021-38751876 15000076078 · [email protected]
上海昂提生物科技有限公司13764913901 · [email protected]
药渡经纬信息科技(北京)有限公司+86-400-851-9921 · [email protected]
上海炎泽化工有限公司15345144255 19901447308 · [email protected]

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