CAS 76508-35-5 1-Methylethyl 4-hydroxy-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide (HCID 54687027)

기본 정보

CAS: 76508-35-5
표준 SMILES: CC(C)OC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1
InChIKey: KCSORUCCHDBUFQ-UHFFFAOYSA-N
분자식: C12H13NO5S
평균 분자량: 283.3 g/mol
단동위원소 질량: 283.05144369

이름 및 식별자

우선 이름: 1-Methylethyl 4-hydroxy-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide
IUPAC: propan-2-yl 4-hydroxy-1,1-dioxo-2H-1lambda6,2-benzothiazine-3-carboxylate
영어명: Isopropyl 4-Hydroxy-2H-1,2-benzothiazine-3-carboxylate 1,1-Dioxide (Piroxicam Impurity I)
분자식: C12H13NO5S
분자량: 283.3

이름 및 동의어

76508-35-51-Methylethyl 4-Hydroxy-2H-1,2-benzothiazine-3-carboxylate 1,1-DioxidePiroxicam impurity I [EP]NSC-642708UNII-4M96S498HZ4M96S498HZ2H-1,2-Benzothiazine-3-carboxylic acid, 4-hydroxy-, 1-methylethyl ester, 1,1-dioxideDTXSID40227315PIROXICAM IMPURITY I [EP IMPURITY]Piroxicam Impurity IPIROXICAM IMPURITY I (EP IMPURITY)RefChem:76388

이름 더 보기

NSC 642708BL-Impurity I1-Methylethyl 4-Hydroxy-2H-1,2-benzIsopropyl 4-Hydroxy- (Piroxicam Impurity I)propan-2-yl 4-hydroxy-1,1-dioxo-2H-1λ6,2-benzothiazine-3-carboxylate4-Hydroxy-2H-1,2-benzothiazine-3-carboxylic acid 1-methylethyl ester 1,1-dioxide

DTXCID40149806Piroxicam EP Impurity IIsopropyl 4-hydroxy-2H-benzo[e][1,2]thiazine-3-carboxylate 1,1-dioxideIsopropyl 4-Hydroxy-2H-1,2-benzothiazine-3-carboxylate 1,1-Dioxide (Piroxicam Impurity I)(Piroxicam Impurity I)isopropyl 4-hydroxy-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxideIsopropyl 4-Hydroxy-propan-2-yl 4-hydroxy-1,1-dioxo-2H-1lambda6,2-benzothiazine-3-carboxylate

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 101 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 6
회전 가능 결합 수: 3
무거운 원자 수: 19
형식 전하: 0
복잡도: 503

물리화학적 성질

녹는점: 170 ℃ · 170℃ (ethanol )

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

화학 및 산업

응용 분야

용도Piroxicam impurity I.

공급사28 곳

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

怀化元研达生物技术有限责任公司18711085600 · [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（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

孟成科技（上海）有限公司400-820-6829 · [email protected]

화합물 노트

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