(R)-Suprofen

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Basic information

CAS: 52780-13-9
Standard SMILES: C[C@@H](C(=O)O)c1ccc(C(=O)c2cccs2)cc1
InChIKey: MDKGKXOCJGEUJW-SECBINFHSA-N
Molecular formula: C14H12O3S
Average molar mass: 260.31 g/mol
Monoisotopic mass: 260.05071541

Names & identifiers

Preferred name: (R)-Suprofen
IUPAC: (2R)-2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid
English name: (R)-(thien-2-ylcarbonyl)propionic acid
Molecular formula: C14H12O3S
Molecular weight: 260.31

Names & synonyms

(R)-SuprofenSuprofen, (R)-52780-13-9UNII-W67A3375VWW67A3375VWEINECS 258-176-1(-)-SUPROFEN(-)-alpha-Methyl-4-(2-thienylcarbonyl)benzeneacetic acidBenzeneacetic acid, alpha-methyl-4-(2-thienylcarbonyl)-, (R)-(.ALPHA.R)-.ALPHA.-METHYL-4-(2-THIENYLCARBONYL)BENZENEACETIC ACIDBENZENEACETIC ACID, .ALPHA.-METHYL-4-(2-THIENYLCARBONYL)-, (R)-BENZENEACETIC ACID, .ALPHA.-METHYL-4-(2-THIENYLCARBONYL)-, (.ALPHA.R)-

Show more names

R(-)-Suprofen(R)-(thien-2-ylcarbonyl)propionic acid(R)-α-Methyl-4-(2-thienylcarbonyl)benzeneacetic acid(2R)-2-[4-[(2-Thienyl)carbonyl]phenyl]propionic acidBenzeneacetic acid, a-methyl-4-(2-thienylcarbonyl)-, (R)-Benzeneacetic acid, α-methyl-4-(2-thienylcarbonyl)-, (αR)-Benzeneacetic acid, a-methyl-4-(2-thienylcarbonyl)-, (aR)- (9CI)

RefChem:70336(ALPHAR)-ALPHA-METHYL-4-(2-THIENYLCARBONYL)BENZENEACETIC ACIDBENZENEACETIC ACID, ALPHA-METHYL-4-(2-THIENYLCARBONYL)-, (ALPHAR)-258-176-1(2R)-2-[4-(thiophene-2-carbonyl)phenyl]propanoic acidR-SuprofenNCGC00016846-01CAS-40828-46-4

Database identifiers

CAS: 52780-13-9
PubChem CID: 688581
DTXSID: DTXSID501317968
ChEMBL: CHEMBL253765
UNII: W67A3375VW
EC Number: 258-176-1
Nikkaji: J295.797C

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 82.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 321

Physicochemical properties

FDA UNII: 67 A3375VW · W67A3375VW

Related reactions

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Compound notes

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