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Voacamidine

AlkaPlorer ID: AK185753

Synonym: ''

IUPAC Name: methyl (1R,15R,17S,18S)-17-ethyl-8-[(1R,12R,14S,15E,18S)-15-ethylidene-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-6-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate

Structure

SMILES: C/C=C1/CN(C)[C@@H]2CC3=C(NC4=CC=CC=C34)[C@@H](C3=C4C5=C(NC4=CC(OC)=C3)[C@@]3(C(=O)OC)C[C@H]4C[C@H](CC)[C@@H]3N(CC5)C4)C[C@H]1[C@@H]2C(=O)OC

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InChI: InChI=1S/C43H52N4O5/c1-7-24-15-23-20-43(42(49)52-6)39-28(13-14-47(21-23)40(24)43)36-30(16-26(50-4)17-34(36)45-39)31-18-29-25(8-2)22-46(3)35(37(29)41(48)51-5)19-32-27-11-9-10-12-33(27)44-38(31)32/h8-12,16-17,23-24,29,31,35,37,40,44-45H,7,13-15,18-22H2,1-6H3/b25-8-/t23-,24+,29-,31-,35-,37+,40+,43+/m1/s1

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InChIKey: ZOKLEFHBOMGEIR-SEXMHVIESA-N

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Properties Information

Molecule Weight: 704.9119999999999

TPSA？: 99.89

MolLogP？: 6.488900000000007

Number of H-Donors: 2

Number of H-Acceptors: 7

RingCount: 10

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information