Cularine; (S)-form, N-Me 

AlkaPlorer ID: AK293335

Synonym: N-Methylcularine 

IUPAC Name: 5,6,17-trimethoxy-11,11-dimethyl-2-oxa-11-azoniatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaene

Structure

SMILES: COC1=CC2=C(C=C1OC)OC1=C(OC)C=CC3=C1C(C2)[N+](C)(C)CC3

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InChI: InChI=1S/C21H26NO4/c1-22(2)9-8-13-6-7-16(23-3)21-20(13)15(22)10-14-11-18(24-4)19(25-5)12-17(14)26-21/h6-7,11-12,15H,8-10H2,1-5H3/q+1

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InChIKey: MZKWSXNODSMAHD-UHFFFAOYSA-N

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Reference

PubChem CID: 74026219

CAS: 38852-37-8

Source

Properties Information

Molecule Weight: 356.4420000000002

TPSA: 36.92

MolLogP: 3.7344000000000026

Number of H-Donors: 0

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information