Lambertine hydroxide

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Basic information

CAS: 119420-08-5
Standard SMILES: COc1ccc2c(c1OC)C[N+]1=C(C2)c2cc3c(cc2CC1)OCO3.[OH-]
InChIKey: WXKFWDFORAXLOD-UHFFFAOYSA-M
Molecular formula: C20H21NO5
Average molar mass: 355.4 g/mol
Monoisotopic mass: 355.14197277

Names & identifiers

Preferred name: Lambertine hydroxide
IUPAC: 16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,15(20),16,18-heptaene hydroxide

Names & synonyms

Lambertine hydroxide119420-08-516,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,15(20),16,18-heptaene;hydroxideBenzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium, 5,6,8,13-tetrahydro-9,10-dimethoxy-, hydroxide (9CI)orb1985896DTXSID60152458AKOS0407523939,10-dimethoxy-5,6,8,13-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium hydroxideT325449,10-Dimethoxy-5,6,8,13-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium hydroxide

Database identifiers

CAS: 119420-08-5
PubChem CID: 189668
DTXSID: DTXSID60152458

Properties

Computed structural properties

Topological polar surface area: 40.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 26
Formal charge: 0
Complexity: 550

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Compound notes

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