CHEBI:101432 - LSM-12795

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ChEBI Name LSM-12795
ChEBI ID CHEBI:101432
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C33H41N5O5
Net Charge 0
Average Mass 587.710
Monoisotopic Mass 587.31077
InChI InChI=1S/C33H41N5O5/c1-23-19-38(24(2)21-39)32(40)29-11-7-6-10-28(29)27-9-5-4-8-25(27)22-43-30(23)20-36(3)33(41)35-26-12-13-34-31(18-26)37-14-16-42-17-15-37/h4-13,18,23-24,30,39H,14-17,19-22H2,1-3H3,(H,34,35,41)/t23-,24-,30+/m1/s1
InChIKey IOQJCBWFRPGQBJ-ZLRJYYBNSA-N
SMILES C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC(=NC=C4)N5CCOCC5)[C@H](C)CO
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing LSM-12795 (CHEBI:101432) is a dialkylarylamine (CHEBI:23665)
LSM-12795 (CHEBI:101432) is a tertiary amino compound (CHEBI:50996)
Manual Xref Database
LSM-12795 LINCS
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