Basic information
- CAS
76508-37-7- Standard SMILES
CC(C)OC(=O)CN1C(=O)c2ccccc2S1(=O)=O- InChIKey
FULJHFVTOIYTGS-UHFFFAOYSA-N- Molecular formula
- C12H13NO5S
- Average molar mass
- 283.3 g/mol
- Monoisotopic mass
- 283.05144352
Names & identifiers
- Preferred name
- 1,2-Benzisothiazole-2(3H)-acetic acid, 3-oxo-, 1-methylethyl ester, 1,1-dioxide
- IUPAC
- propan-2-yl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetate
- English name
- Saccharin N-(2-Acetic Acid Isopropyl Ester) (Piroxicam Impurity F)
- Molecular formula
- C12H13NO5S
- Molecular weight
- 283.3
Names & synonyms
76508-37-7Saccharin N-(2-acetic acid isopropyl ester)1-Methylethyl (1,1-Dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetateTD39BF075K1,2-Benzisothiazole-2(3H)-acetic acid, 3-oxo-, 1-methylethyl ester, 1,1-dioxideDTXSID00227316RefChem:1052159DTXCID00149807Piroxicam EP impurity FSaccharin N-(2-Acetic Acid Isopropyl Ester)(Piroxicam Impurity F)Piroxicam impurity F [EP]UNII-TD39BF075K
Show more names
BL-Impurity FIn1124 Impurity 4Piroxicam EP IMP F1-Methylethyl (1,1-Dioxido-3-oxo-1,Saccharin N-(2-Acetic Acid Isopropyl Ester) (Piroxicam Impurity F)Imp. F (EP): 1-Methylethyl(1,1-Dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetate
propan-2-yl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetateIsopropyl 2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)acetatePiroxicam Impurity F1-Methylethyl (1,1-Dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetate; Piroxicam Imp. F (EP); Piroxicam Impurity F3-Oxo-1,2-benzisothiazole-2(3H)-acetic Acid 1-Methylethyl Ester 1,1-DioxideOprea1_022565SCHEMBL10563334FULJHFVTOIYTGS-UHFFFAOYSA-N
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 479
Physicochemical properties
- Melting point
- 119 · 119-121℃ (isopropanol )
- FDA UNII
- 39 BF075K · TD39BF075K
Safety & regulation
GHS classification
GHS Classification
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.
Chemistry & industry
Applications
UsesPiroxicam impurity F.
Suppliers28 total
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]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
深圳卓越生物医药科技有限公司0755-26050679 18318671572 · [email protected]
Related reactions
5 records
Compound notes
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