None

AlkaPlorer ID: AK319801

Synonym: None

IUPAC Name: 1,21-dimethyl-18-oxa-11-aza-1-azoniahexacyclo[11.8.0.02,16.04,12.05,10.015,20]henicosa-4(12),5(10),6,8-tetraene-7,17-diol

Structure

SMILES: CC1C2COC(O)C3C2CC2C4=C(CC3[N+]21C)C1=C(C=CC(O)=C1)N4

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InChI: InChI=1S/C20H24N2O3/c1-9-14-8-25-20(24)18-12(14)6-17-19-13(7-16(18)22(9,17)2)11-5-10(23)3-4-15(11)21-19/h3-5,9,12,14,16-18,20-21,24H,6-8H2,1-2H3/p+1

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InChIKey: FJKICKPAGXMAIN-UHFFFAOYSA-O

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Reference

PubChem CID: 176717

CAS: 98243-58-4

NPASS: NPC316322

Properties Information

Molecule Weight: 341.431

TPSA: 65.47999999999999

MolLogP: 2.2889

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information