CitalopraM카르복실산iMpurity

1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydro-5-Isobenzofurancarboxylic acid

HCID 9928044CAS 440121-09-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C(=O)O)ccc21
InChIKey: GECQEQCYCDJXJC-UHFFFAOYSA-N
분자식: C20H22FNO3
평균 분자량: 343.4 g/mol
단동위원소 질량: 343.15837178

이름 및 식별자

우선 이름: 1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydro-5-Isobenzofurancarboxylic acid
IUPAC: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carboxylic acid
현지명: CitalopraM카르복실산iMpurity
영어명: CitalopraM carboxylic acid iMpurity
분자식: C20H22FNO3
분자량: 343.39

이름 및 동의어

1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarboxylic Acid1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydro-5-Isobenzofurancarboxylic acidRefChem:423140691-125-5440121-09-5Citalopram carboxylic acid impurityEscitalopram EP Impurity MCitalopram carboxylic acidCitalopram EP Impurity M1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carboxylic acid1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carboxylic acidTL2J4XTR6Q

이름 더 보기

CitalopraM카르복실산iMpurityCitalopram Impurity 27Escitalopram Impurity REscitalopram Acid AnalogCitalopram EP Impurity M HClEscitalopram oxalate impurity 5Citalopram Impurity 27（Escitalopram EP Impurity M）5-Isobenzofurancarboxylic acid, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-

orb3217039SCHEMBL6651952DTXSID50881083GECQEQCYCDJXJC-UHFFFAOYSA-NDescyano citalopram carboxylic acidQSA121091-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxylic acidNS00014626

데이터베이스 식별자

CAS: 440121-09-5
PubChem CID: 9928044
DTXSID: DTXSID50881083
UNII: TL2J4XTR6Q
EC Number: 691-125-5
Nikkaji: J2.704.973G

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 49.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 6
무거운 원자 수: 25
형식 전하: 0
복잡도: 464

물리화학적 성질

끓는 점: 465.4 · 465.4±45.0 °C(Predicted)
밀도: 1.212 · 1.212±0.06 g/cm3(Predicted)
산도 계수 (pKa): 4.2 · 4.20±0.40(Predicted)
주요 응용: 소분자 약용

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P273, P301+P317, P304+P340, P319, P330, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: WGK 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

공급사37 곳

济南百隆化学有限公司[email protected] · [email protected]

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

南京望知星医药科技有限公司18569809817 · [email protected]

广州隽唐科技有限公司020-36607679 13502246435 · [email protected]

Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]

연결된 노트

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