Curine; (±)-form, N,N'-Di-Me 

AlkaPlorer ID: AK292391

Synonym: Daijisong

IUPAC Name: 10,25-dimethoxy-15,15,30,30-tetramethyl-7,23-dioxa-15,30-diazoniaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene-9,21-diol

Structure

SMILES: COC1=CC2=C3C=C1OC1=CC(=CC=C1O)CC1C4=C(C=C(OC)C(O)=C4OC4=CC=C(C=C4)CC3[N+](C)(C)CC2)CC[N+]1(C)C

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InChI: InChI=1S/C38H42N2O6/c1-39(2)15-13-25-20-33(43-5)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-38-36-26(21-35(44-6)37(38)42)14-16-40(3,4)30(36)18-24-9-12-31(41)32(19-24)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/p+2

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InChIKey: PXXYOLIWFSWZNP-UHFFFAOYSA-P

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Reference

PubChem CID: 411885

CAS: 26057-50-1

Source

Properties Information

Molecule Weight: 624.7779999999999

TPSA: 77.38000000000001

MolLogP: 6.845600000000008

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information