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Basic information
- CAS
1220910-89-3- Standard SMILES
Cn1nnc(-c2ccc(-c3ccc(NC(=O)OCc4ccccc4)cc3F)cn2)n1- InChIKey
GIBJIBYBOVNDET-UHFFFAOYSA-N- Molecular formula
- C21H17FN6O2
- Average molar mass
- 404.4 g/mol
Names & identifiers
- Preferred name
- CarbaMic acid, N-[3-fluoro-4-[6-(2-Methyl-2H-tetrazol-5-yl)-3-pyridinyl]phenyl]-, phenylMethyl ester
- English name
- CarbaMic acid, N-[3-fluoro-4-[6-(2-Methyl-2H-tetrazol-5-yl)-3-pyridinyl]phenyl]-, phenylMethyl ester
- Molecular formula
- C21H17FN6O2
- Molecular weight
- 404.4
Names & synonyms
benzyl (3-fluoro-4-(6-(2-Methyl-2H-tetrazol-5-yl)pyridin-3-yl)phenyl)carbaMateTorezolid-20Tedizolid Impurity 46Tedizolid Impurity 68Tedizolid impurity581Torezolid Intermediate1Trozolamide impurity 40Terazolamide impurity 22Terdazolamide Impurity 22Intermediate of Tedazolamide
Database identifiers
- CAS
1220910-89-3- PubChem CID
- 73014119
- UNII
- KT5QE5A326
Properties
Physicochemical properties
- Melting point
- 168 · 168-170°C
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Dichloromethane (Slightly), DMSO (Slightly), Methanol (Slightly)
- pka
- 12.52 · 12.52±0.70(Predicted)
- form
- Solid
- color
- White to Off-White
- InChI
- InChI=1S/C21H17FN6O2/c1-28-26-20(25-27-28)19-10-7-15(12-23-19)17-9-8-16(11-18(17)22)24-21(29)30-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,24,29)
- InChIKey
- GIBJIBYBOVNDET-UHFFFAOYSA-N
- SMILES
- C(OCC1=CC=CC=C1)(=O)NC1=CC=C(C2=CC=C(C3=NN(C)N=N3)N=C2)C(F)=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 501 · P501-P270-P264-P301+P312+P330
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P501-P270-P264-P301+P312+P330
Chemistry & industry
Applications
UsesN-[3-Fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phenyl]carbamic Acid Phenylmethyl Ester is an intermediate in the synthesis of Tedizolid (T013750), an known oral and intravenous antibiotic.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Related reactions
0 records
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Compound notes
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