Crystamidine; (±)-form

AlkaPlorer ID: AK293309

Synonym: None

IUPAC Name: 19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,11,15,17-hexaen-14-one

Structure

SMILES: COC1C=CC2=CC(=O)N3C=CC4=CC5=C(C=C4C23C1)OCO5

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InChI: InChI=1S/C18H15NO4/c1-21-13-3-2-12-7-17(20)19-5-4-11-6-15-16(23-10-22-15)8-14(11)18(12,19)9-13/h2-8,13H,9-10H2,1H3

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InChIKey: NZMLLYZLUYBOGO-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 309.3210000000001

TPSA: 48.0

MolLogP: 2.3384

Number of H-Donors: 0

Number of H-Acceptors: 4

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information