Pterolactam

HCID 181561

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Basic information

CAS: 38072-88-7
Standard SMILES: COC1CCC(=O)N1
InChIKey: VULIHENHKGDFAB-UHFFFAOYSA-N
Molecular formula: C5H9NO2
Average molar mass: 115.13 g/mol
Monoisotopic mass: 115.06332853

Names & identifiers

Preferred name: Pterolactam
IUPAC: 5-methoxypyrrolidin-2-one
English name: PTEROLACTAM
Molecular formula: C5H9NO2
Molecular weight: 115.13

Names & synonyms

5-Methoxypyrrolidin-2-onePterolactam38072-88-72-Pyrrolidinone, 5-methoxy-, (+)-RefChem:177112VULIHENHKGDFAB-UHFFFAOYSA-N5-Methoxy-2-pyrrolidinone63853-74-7MFCD00192270(+)-5-Methoxypyrrolidin-2-one5-methoxy-2-oxo pyrrolidine5-Methoxybutyrolactam

Show more names

5-methoxypyrrolidinone5-methoxy pyrrolidin-2-one5-Methoxy-2-pyrrolidinone #SCHEMBL441623orb1681829SCHEMBL2036945SCHEMBL2040550SCHEMBL2043440

Database identifiers

CAS: 38072-88-7、63853-74-7
PubChem CID: 181561
ChEBI: CHEBI:173415
EC Number: 613-389-2
Nikkaji: J18.434I、J818.766E

Properties

Computed structural properties

XLogP: -0.4
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 103

Experimental & physicochemical properties

Melting Point56 - 67 °C

Physical DescriptionSolid

Physicochemical properties

solubility: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
form: Oil

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Chemistry & industry

Pharmacology

Cellular LocationsCytoplasm；Extracellular

Applications

UsesPterolactam can be isolated from Chrysanthemum coronarium L. Pterolactam derivates serval analogues that Mannich bases of amide with antifungal activities and cytotoxicity[1][2].