Presecamine; 19,19',20,20'-Tetrahydro
AlkaPlorer ID: AK114608
Synonym: Tetrahydropresecamine
IUPAC Name: dimethyl 4a-[2-(3-ethylpiperidin-1-yl)ethyl]-4-[3-[2-(3-ethylpiperidin-1-yl)ethyl]-1H-indol-2-yl]-3,9-dihydro-2H-carbazole-1,4-dicarboxylate
Structure
SMILES: CCC1CCCN(CCC2=C(C3(C(=O)OC)CCC(C(=O)OC)=C4NC5=CC=CC=C5C43CCN3CCCC(CC)C3)NC3=CC=CC=C23)C1
InChI: InChI=1S/C42H56N4O4/c1-5-29-13-11-23-45(27-29)25-20-32-31-15-7-9-17-35(31)43-37(32)42(40(48)50-4)21-19-33(39(47)49-3)38-41(42,34-16-8-10-18-36(34)44-38)22-26-46-24-12-14-30(6-2)28-46/h7-10,15-18,29-30,43-44H,5-6,11-14,19-28H2,1-4H3
InChIKey: OOVYUFTWQIHSJJ-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 680.934
TPSA？: 86.9
MolLogP？: 7.339700000000008
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 7
Activities Information
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