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N-Methyldesloratadine

HCID 31843
노트반응

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기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
38092-89-6
표준 SMILES
CN1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1
InChIKey
VLXSCTINYKDTKR-UHFFFAOYSA-N
분자식
C20H21ClN2
평균 분자량
324.8 g/mol
단동위원소 질량
324.1393264

이름 및 식별자

우선 이름
N-Methyldesloratadine
IUPAC
13-chloro-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
영어명
N-Methyl Desloratadine
분자식
C20H21ClN2
분자량
324.85

이름 및 동의어

N-Methyldesloratadine8-chloro-11-(1-methylpiperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridineLoratadine impurity G [EP]UNII-70V8053T5G70V8053T5GDTXSID401915028-Chloro-11-(1-methylpiperidin-4-ylidene)-6,11-dihydro-5H-benzo(5,6)cyclohepta(1,2-b)pyridine5H-Benzo(5,6)cyclohepta(1,2-b)pyridine, 8-chloro-6,11-dihydro-11-(1-methyl-4-piperidinylidene)-LORATADINE IMPURITY G [EP IMPURITY]LORATADINE IMPURITY G (EP IMPURITY)5H-Benzo[5,6]cyclohepta[1,2-b]pyridine, 8-chloro-6,11-dihydro-11-(1-methyl-4-piperidinylidene)-Loratadine impurity G
이름 더 보기
Methyl loratadineN-Methyl LoratadineLoratadine Related CoMpound B8-chloro-6,11-dihydro-11-(1-methyl-4-piperidinylidene)-5h-benzo[5,6]cyclohepta[1,2-b]pyridine8-Chloro-6,11-dihydro-11-(1-methyl-4-piperidinylidene)-5H-benzo[5,6] cyclohepta [1,2-b]pyridine (N-Methyl Desloratadine)8-Chloro-66]cyclohepta[1Methyl loratidine
RefChem:163816DTXCID10113993641-012-1923-094-338092-89-68-ChloroazatadineN-Methyl DesloratadineLoratadine EP Impurity G

데이터베이스 식별자

CAS
38092-89-6
PubChem CID
31843
DTXSID
DTXSID40191502
ChEMBL
CHEMBL420316
UNII
70V8053T5G
EC Number
641-012-1、923-094-3
Nikkaji
J1.329.319H

물성

구조 계산 물성보충 중

XLogP
4.2
극성 표면적
16.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
23
형식 전하
0
복잡도
451

물리화학적 성질

녹는점
106 · 106-109°C
끓는 점
474.3 · 474.3±45.0 °C(Predicted)
밀도
1.205 · 1.205±0.06 g/cm3(Predicted)
저장 조건
Sealed in dry,Room Temperature
산도 계수 (pKa)
8.67 · 8.67±0.20(Predicted)
물리적 상태
solid
주요 응용
소분자 약용
InChI
InChI=1S/C20H21ClN2/c1-23-11-8-14(9-12-23)19-18-7-6-17(21)13-16(18)5-4-15-3-2-10-22-20(15)19/h2-3,6-7,10,13H,4-5,8-9,11-12H2,1H3
InChIKey
VLXSCTINYKDTKR-UHFFFAOYSA-N
SMILES
C12/C(=C3\CCN(C)CC\3)/C3=CC=C(Cl)C=C3CCC1=CC=CN=2

화학적 성질

Red Oil

안전 및 규제

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

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 6.2% (2 of 32) of reports.

Danger

H302 (93.8%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (34.4%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (53.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (34.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (37.5%): Harmful if inhaled [Warning Acute toxicity, inhalation];H361 (53.1%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity];H362 (53.1%): May cause harm to breast-fed children [Reproductive toxicity, effects on or via lactation];H412 (53.1%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P203, P260, P261, P263, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 32 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 2 of 32 reports by companies.;There are 4 notifications provided by 30 of 32 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory InformationStatus: Active Update: 25-02-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17175
Hazard Classes and CategoriesAcute Tox. 4 (93.8%);Skin Irrit. 2 (34.4%);Eye Dam. 1 (53.1%);Eye Irrit. 2 (34.4%);Acute Tox. 4 (37.5%);Repr. 2 (53.1%);Lact. (53.1%);Aquatic Chronic 3 (53.1%)

화학 및 산업

응용 분야

용도An intermediate in the synthesis of Loratadine. Loratadine impurity.

상·하류 제품 정보

상류 원료

(1-Methyl-4-piperidinyl)[3-[2-(3-chlorophenyl)ethyl]pyridinyl]methanone hydrochloride8-Chloro-6,11-dihydro-11-(1-methyl-4-piperidinyl)-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ol

하류 제품

Azatadine슈37370데스로라타딘Loratadine

공급사100 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
天津始加生物医药科技有限公司15022261580 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]

관련 반응

8건
반응 기록 만들기
HRID 320446 반응식
HRID 320446반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 542762 반응식
HRID 542762생성물로uspto-grants-1987_04
HRID 542763 반응식
HRID 542763반응물로uspto-grants-1987_04
HRID 957550 반응식
HRID 957550생성물로Validation data from https://doi.org/10.1039/C8SC04228D
HRID 1216494 반응식
HRID 1216494반응물로Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1606947 반응식
HRID 1606947생성물로uspto-grants-1989_09
HRID 1606948 반응식
HRID 1606948반응물로uspto-grants-1989_09
HRID 2129166 반응식
HRID 2129166생성물로Training data from https://doi.org/10.1039/C8SC04228D (4/10)

화합물 노트

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이 페이지에서기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트

규제 정보

Regulatory InformationStatus: Active Update: 25-02-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17175

안전 데이터

wgk
WGK 3
HS 번호
2933399090
스토리지 클래스
11 - Combustible Solids
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
深圳市简一生物科技有限公司0755-84826604 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [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]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
安徽德信佳生物医药有限公司0531-82375878 15269101859 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
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江苏药桥化学有限公司18694976128 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
重庆卡兰医药有限公司023-62879767 · [email protected]
成都迈斯克医药科技有限公司028-84552636 18084815636 · [email protected]
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上海乾劲化工科技有限公司021-20900665 17321230821 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
苏州全辉生物科技有限公司0512-66368286 18994391916 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
AN PharmaTech Co Ltd86(21)68097365 · [email protected]
南京熙泽医药科技有限公司025-66023220 15250997978 · [email protected]
浙江泽天精细化工有限公司0571-87322520 19265846165 · [email protected]
江苏倍达医药科技有限公司0512-63009836 18994340901 · [email protected]
TargetMol中国(陶术生物)021-021-33632979 15002134094 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
Qiuxian Baitai New Material Co., LTD+86-19932103556 · [email protected]
上海华恩医药科技有限公司13681955282 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
南通华祥医药科技有限公司+86-15716293042 15716293042 · [email protected]
北京华威锐科化工科技有限公司89508211 18501085097 · [email protected]
上海炎泽化工有限公司15345144255 19901447308 · [email protected]