Murbetol

HCID 24684

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Basic information

CAS: 8015-38-1
Standard SMILES: CC(C)OC(=O)Nc1ccccc1.O=C(O)C1C2CCC(O2)C1C(=O)O
InChIKey: IFTLLIGQLJEPLL-UHFFFAOYSA-N
Molecular formula: C18H23NO7
Average molar mass: 365.4 g/mol
Monoisotopic mass: 365.14745207

Names & identifiers

Preferred name: Murbetol
IUPAC: 7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid;propan-2-yl N-phenylcarbamate

Names & synonyms

MURBETOL8015-38-1RefChem:3579617-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, disodium salt, mixt. with 1-methylethyl phenylcarbamateDTXSID3010009997-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid--propan-2-yl hydrogen phenylcarbonimidate (1/1)

Database identifiers

CAS: 8015-38-1
PubChem CID: 24684
DTXSID: DTXSID301000999

Properties

Computed structural properties

Topological polar surface area: 122 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 26
Formal charge: 0
Complexity: 398

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