methyl 4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide

HCID 54676532

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 35511-15-0
표준 SMILES: COC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C
InChIKey: NGHIOTWSWSQQNT-UHFFFAOYSA-N
분자식: C11H11NO5S
평균 분자량: 269.28 g/mol
단동위원소 질량: 269.03579345

이름 및 식별자

우선 이름: methyl 4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide
IUPAC: methyl 4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxylate
영어명: 2-Methyl-4-hydroxy-2H-1,2-benzisothiazine-3-carboxylic acid ethyl ester-1,1-diox
분자식: C11H11NO5S
분자량: 269.27

이름 및 동의어

Methyl 4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxideUNII-Z7C4J6BW2KZ7C4J6BW2KEINECS 252-601-4MELOXICAM IMPURITY E [EP IMPURITY]DTXSID30189019PIROXICAM IMPURITY J [EP IMPURITY]2-Methyl-4-hydroxy-2H-1,2-benzothiazine-3-carboxylic acid methyl ester 1,1-dioxide4-HYDROXY-2-METHYL-2H-1,2-BENZOTHIAZINE-3-CARBOXYLIC ACID METHYL ESTER 1,1-DIOXIDE2H-1,2-BENZOTHIAZINE-3-CARBOXYLIC ACID, 4-HYDROXY-2-METHYL-, METHYL ESTER, 1,1-DIOXIDEMELOXICAM IMPURITY E (EP IMPURITY)PIROXICAM IMPURITY J (EP IMPURITY)

이름 더 보기

Meloxicam BP Impurity DPiroxicam EP Impurity JPiroxicam EP IMP J4-Hydroxy-2-Methyl-PiroxicaM IMpurity JPiroxicam Related Compound JMethyl 4-Hydroxy-2-methyl-2H-1,2-beMeloxicam Impurity 5(Meloxicam EP Impurity E)Piroxicam Impurity 10(Piroxicam EP Impurity J)Meloxicam EP Impurity E (Piroxicam EP Impurity J)

RefChem:157618DTXCID10111510252-601-435511-15-0Methyl 2-methyl-4-hydroxy-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide2-Methyl-4-hydroxy-2H-1,2-benzothiazine-3-carboxylic methyl ester-1,1-dioxidemethyl 4-hydroxy-2-methyl-2H-benzo[e][1,2]thiazine-3-carboxylate 1,1-dioxideMFCD00071766

데이터베이스 식별자

CAS: 35511-15-0
PubChem CID: 54676532
DTXSID: DTXSID30189019
ChEMBL: CHEMBL4176626
UNII: Z7C4J6BW2K
EC Number: 252-601-4

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 92.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 2
무거운 원자 수: 18
형식 전하: 0
복잡도: 490

물리화학적 성질

녹는점: 163 · 163-165°C
끓는 점: 439.9 · 439.9±55.0 °C(Predicted)
밀도: 1.514 · 1.514±0.06 g/cm3(Predicted)
저장 조건: 2 · Sealed in dry,2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 4.5 · 4.50±1.00(Predicted)
색상: 흰색에서 연한 노란색
주요 응용: 의약품(소분자)
InChI: 1S/C11H11NO5S/c1-12-9(11(14)17-2)10(13)7-5-3-4-6-8(7)18(12,15)16/h3-6,13H,1-2H3
InChIKey: NGHIOTWSWSQQNT-UHFFFAOYSA-N