2H-Thieno(2,3-e)-1,2-thiazine-3-carboxylic acid, 4-hydroxy-2-methyl-, methyl ester, 1,1-dioxide

HCID 54690599

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 59804-25-0
표준 SMILES: COC(=O)C1=C(O)c2sccc2S(=O)(=O)N1C
InChIKey: OKNMAOBDSCJUDO-UHFFFAOYSA-N
분자식: C9H9NO5S2
평균 분자량: 275.3 g/mol
단동위원소 질량: 274.99221439

이름 및 식별자

우선 이름: 2H-Thieno(2,3-e)-1,2-thiazine-3-carboxylic acid, 4-hydroxy-2-methyl-, methyl ester, 1,1-dioxide
IUPAC: methyl 4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate
영어명: METHYL 2-METHYL-4-HYDROXY-2H-THIENO[2,3-E]-1,2-THIAZINE-3-CARBOXYLATE-1,1-DIOXIDE
분자식: C9H9NO5S2
분자량: 275.3

이름 및 동의어

59804-25-0RefChem:4844452H-Thieno(2,3-e)-1,2-thiazine-3-carboxylic acid, 4-hydroxy-2-methyl-, methyl ester, 1,1-dioxidemethyl 4-hydroxy-2-methyl-2H-thieno[2,3-e][1,2]thiazine-3-carboxylate 1,1-dioxideMETHYL 2-METHYL-4-HYDROXY-2H-THIENO[2,3-E]-1,2-THIAZINE-3-CARBOXYLATE-1,1-DIOXIDEC9H9NO5S2MFCD08460400Tenoxicam Impurity Bmethyl 4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylateMethyl-2-methyl-4-hydroxy-2H-thieno[2,3-E]-1,2-thiazine-3-carboxylate-1,1-dioxideMethyl 4-hydroxy-2-methyl-1,1-dioxo-thieno[2,3-e]thiazine-3-carboxylate2H-Thieno[2,3-e]-1,2-thiazine-3-carboxylic acid, 4-hydroxy-2-methyl-,methyl ester, 1,1-dioxide

이름 더 보기

Tenoxicam Impurity 5Lornoxicam Impurity 27Lornoxicam Impurity 39METHYL-2-METHYL-4-HYDROXY-2H-THIENOMethyl 4-Hydroxy-2-methyl-2H-thienoMethyl 2-Methyl-4-Hydroxy-2H-Thieno[2,3-e]-1,2-Thiazine-3-Ca...2-methyl-4-hydroxy-2H-thieno[2,3-E]-1,2-thiazine-3-carboxylate-1,1-dioxide

methyl 4-hydroxy-2-methyl-1,1-dioxo-2H-1lambda6-thieno[2,3-e][1,2]thiazine-3-carboxylateTenoxicam EP Impurity BMethyl 4-Hydroxy-2-methyl-2H-thieno[2,3-e]1,2-thiazine-3-carboxylate 1,1-DioxideMethyl 4-Hydroxy-2-methyl-2H-Thieno[2,3-e]-1,2-thiazine-3-carboxylic Acid 1,1-Dioxide EsterMethyl 4-Hydroxy-2-methyl-2H-thieno[2,3-e]1,2-thiazine-3-carboxylate 1,1-Dioxide; Tenoxicam Imp. B (EP); Tenoxicam Impurity BLornoxicam Impurity 19METHYL 2-METHYL-4-HYDROXY-2H-THICN0[2,3-E]-1,2-THIAZINE-3-CARBOXYLATE-1,1-DIOXIDEorb864234

데이터베이스 식별자

CAS: 59804-25-0
PubChem CID: 54690599
DTXSID: DTXSID70975211
EC Number: 611-894-2

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 121 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 2
무거운 원자 수: 17
형식 전하: 0
복잡도: 478

물리화학적 성질

끓는 점: 453.5 · 453.5±55.0 °C(Predicted)
밀도: 1.646 · 1.646±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 4.5 · 4.50±1.00(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 03-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23817

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

응용 분야

용도Methyl 4-Hydroxy-2-methyl-2H-Thieno[2,3-e]-1,2-thiazine-3-carboxylic Acid 1,1-Dioxide Ester is used in the preparation of Tenoxicam, which is a class of oxicams with anti-inflammatory and analgesic properties.