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KTR

Summary
Name:(1R)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
Synonyms:Ketorolac
Formula:C15 H13 N O3
Formal charge:0
Formula weight:255.269 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(1R)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
OpenEye OEToolkits1.7.6(1R)-5-(phenylcarbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C3c2ccc(C(=O)c1ccccc1)n2CC3
InChIInChI1.03InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)/t11-/m1/s1
InChIKeyInChI1.03OZWKMVRBQXNZKK-LLVKDONJSA-N
SMILES_CANONICALCACTVS3.370OC(=O)[C@@H]1CCn2c1ccc2C(=O)c3ccccc3
SMILESCACTVS3.370OC(=O)[CH]1CCn2c1ccc2C(=O)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(cc1)C(=O)c2ccc3n2CC[C@H]3C(=O)O
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)C(=O)c2ccc3n2CCC3C(=O)O

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數據於2024-07-24公開中

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