Echitoserpidine

AlkaPlorer ID: AK076803

Synonym: ''

IUPAC Name: methyl (1R,12S,19R)-12-[(1R)-1-(7-methoxy-1,3-benzodioxole-5-carbonyl)oxyethyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9-tetraene-10-carboxylate

Structure

SMILES: COC(=O)C1=C2NC3=CC=CC=C3[C@@]23CCN2CCC[C@]([C@@H](C)OC(=O)C4=CC(OC)=C5OCOC5=C4)(C1)[C@H]23

copy

InChI: InChI=1S/C30H32N2O7/c1-17(39-26(33)18-13-22(35-2)24-23(14-18)37-16-38-24)29-9-6-11-32-12-10-30(28(29)32)20-7-4-5-8-21(20)31-25(30)19(15-29)27(34)36-3/h4-5,7-8,13-14,17,28,31H,6,9-12,15-16H2,1-3H3/t17-,28+,29-,30+/m1/s1

copy

InChIKey: YBIKFMPJKNFTQC-PTWHGLQUSA-N

copy

Source

Properties Information

Molecule Weight: 532.5930000000003

TPSA: 95.56000000000002

MolLogP: 4.018000000000003

Number of H-Donors: 1

Number of H-Acceptors: 9

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information