Pseudozoanthoxanthin A

AlkaPlorer ID: AK094313

Synonym: 4-Methyl-1H-cyclohepta[1,2-d:3,4-d']diimidazole-2,8-diamine, 2,8-Diamino-4-methyl-1H-cyclohepta[1,2-d:3,4-d']diimidazole 

IUPAC Name: 7-methyl-3,5,11,13-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2,4,6,8,12-hexaene-4,12-diamine

Structure

SMILES: CC1=CC=C2N=C(N)N=C2C2=C1N=C(N)N2

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InChI: InChI=1S/C10H10N6/c1-4-2-3-5-7(15-9(11)13-5)8-6(4)14-10(12)16-8/h2-3H,1H3,(H2,11,13,15)(H3,12,14,16)

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InChIKey: WMTIOBLDGLBQNX-UHFFFAOYSA-N

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Reference

CAS: 60049-47-0

COCONUT: CNP0301433

Properties Information

Molecule Weight: 214.23200000000003

TPSA: 106.5

MolLogP: 0.9305199999999998

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information