CHEBI:125354 - 1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
ChEBI ID CHEBI:125354
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C28H54N8
Net Charge 0
Average Mass 502.783
Monoisotopic Mass 502.447
InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
InChIKey YIQPUIGJQJDJOS-UHFFFAOYSA-N
SMILES C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3CCCNCCNCCCNCC3
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 1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane (CHEBI:125354) is a aromatic amine (CHEBI:33860)
Synonym Source
mozobil DrugCentral
Manual Xrefs Databases
4410 DrugCentral
LSM-36826 LINCS
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Registry Number Type Source
110078-46-1 CAS Registry Number DrugCentral
Last Modified
22 February 2017