TETRAXETAN

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 1HTE449DGZ

Structure
InChI Key WDLRUFUQRNWCPK-UHFFFAOYSA-N
Smile O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1
InChI
InChI=1S/C16H28N4O8/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H28N4O8
Molecular Weight 404.42
AlogP -2.45
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 8.0
Polar Surface Area 162.16
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 28.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neuroendocrine Tumors 2 D018358 ClinicalTrials
Precursor Cell Lymphoblastic Leukemia-Lymphoma 1 D054198 ClinicalTrials
Lymphoma, Large B-Cell, Diffuse 1 D016403 ClinicalTrials

Cross References

Resources Reference
ChEBI 61028
ChEMBL CHEMBL1721515
EPA CompTox DTXSID60208984
FDA SRS 1HTE449DGZ
Guide to Pharmacology 5538
PubChem 121841
SureChEMBL SCHEMBL18018
ZINC ZINC000022059268
CONTENTS