CAS 21165-77-5 Methyl N-(4-(2-(5-chloro-2-methoxybenzamido)ethyl)benzenesulfonyl)carbamate (HCID 88812)

기본 정보

CAS: 21165-77-5
표준 SMILES: COC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cc(Cl)ccc2OC)cc1
InChIKey: FHUMMCKSSXULQH-UHFFFAOYSA-N
분자식: C18H19ClN2O6S
평균 분자량: 426.9 g/mol
단동위원소 질량: 426.0652352

이름 및 식별자

우선 이름: Methyl N-(4-(2-(5-chloro-2-methoxybenzamido)ethyl)benzenesulfonyl)carbamate
IUPAC: methyl N-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamate
영어명: GLYBURIDE RELATED COMPOUND B (25 MG) (METHYL-[[4-[2-[(5-CHLORO-2-METHOXYBENZOYL)-AMINO]ETHYL]PHENYL]SULFONYL]CARBAMATE) (AS)
분자식: C18H19ClN2O6S
분자량: 426.87

이름 및 동의어

21165-77-5Methyl N-(4-(2-(5-chloro-2-methoxybenzamido)ethyl)benzenesulphonyl)carbamateJ05PEU2DTTEINECS 244-254-2DTXSID60175405Methyl N-(4-(2-(5-chloro-2-methoxybenzamido)ethyl)benzenesulfonyl)carbamateCarbamic acid, ((4-(2-((5-chloro-2-methoxybenzoyl)amino)ethyl)phenyl)sulfonyl)-, methyl esterCARBAMIC ACID, ((P-(2-(5-CHLORO-O-ANISAMIDO)ETHYL)PHENYL)SULFONYL)-, METHYL ESTERMETHYL-((4-(2-((5-CHLORO-2-METHOXYBENZOYL)-AMINO)ETHYL)PHENYL)SULFONYL)CARBAMATE (AS)CARBAMIC ACID, N-((4-(2-((5-CHLORO-2-METHOXYBENZOYL)AMINO)ETHYL)PHENYL)SULFONYL)-, METHYL ESTERMETHYL N-[4-[2-(5-CHLORO-2-METHOXYBENZAMIDO)ETHYL]BENZENESULPHONYL]CARBAMATERefChem:817935

이름 더 보기

Glyburide USP RC BGlyburide EP Impurity BGlibenclamide Impurity 8Glyburide USP Related Compound BMethyl [[4-[2-[(5-Chloro-2-methoxybGlibenclaMide (Glyburide) IMpurity BGlibenclamide (Glyburide) EP Impurity B

물성

구조 계산 물성

XLogP: 3
극성 표면적: 119 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 6
회전 가능 결합 수: 8
무거운 원자 수: 28
형식 전하: 0
복잡도: 630

물리화학적 성질

녹는점: 189 · 189-191℃
밀도: 1.361 · 1.361±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 4.66 · 4.66±0.10(Predicted)
물리적 상태: powder
주요 응용: 제약소분자 약용
InChI: 1S/C18H19ClN2O6S/c1-26-16-8-5-13(19)11-15(16)17(22)20-10-9-12-3-6-14(7-4-12)28(24,25)21-18(23)27-2/h3-8,11H,9-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKey: FHUMMCKSSXULQH-UHFFFAOYSA-N
SMILES: [S](=O)(=O)(NC(=O)OC)c1ccc(cc1)CCNC(=O)c2c(ccc(c2)Cl)OC

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P264, P270, P301+P317, P330, 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.

안전 데이터

wgk: WGK 3
HS 번호: 2935909550
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도N-[[4-[2-[(5-Chloro-2-methoxybenzoyl)amino]ethyl]phenyl]sulfonyl]carbamic Acid Methyl Ester is an impurity in the synthesis of Gyburide (G598350), a second generation sulfonylurea with hypoglycemic activity. Glyburide is an antidiabetic.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

上海策嵘生物科技有限公司[email protected]

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

艾吉析科技（上海）有限公司17717235263 · [email protected]

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

화합물 노트

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Methyl N-(4-(2-(5-chloro-2-methoxybenzamido)ethyl)benzenesulfonyl)carbamate