EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID70166708

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID70166708


InChI Key	UUOUGRUMSRMJHY-UHFFFAOYSA-N
Smiles	CCCCOCN1C2C(N(COCCCC)C1=O)N(COCCCC)C(=O)N2COCCCC
InChI	InChI=1S/C24H46N4O6/c1-5-9-13-31-17-25-21-22(27(23(25)29)19-33-15-11-7-3)28(20-34-16-12-8-4)24(30)26(21)18-32-14-10-6-2/h21-22H,5-20H2,1-4H3/t21-,22-

InChI Key

UUOUGRUMSRMJHY-UHFFFAOYSA-N

Smiles

CCCCOCN1C2C(N(COCCCC)C1=O)N(COCCCC)C(=O)N2COCCCC

InChI

InChI=1S/C24H46N4O6/c1-5-9-13-31-17-25-21-22(27(23(25)29)19-33-15-11-7-3)28(20-34-16-12-8-4)24(30)26(21)18-32-14-10-6-2/h21-22H,5-20H2,1-4H3/t21-,22-

Property Name	Value
Molecular Formula	C24H46N4O6
Molecular Weight	486.34
AlogP	4.21
Hydrogen Bond Acceptor	6.0
Number of Rotational Bond	20.0
Polar Surface Area	84.02
Heavy Atoms	34.0

Property Name

Value

Molecular Formula

C24H46N4O6

Molecular Weight

486.34

AlogP

4.21

Hydrogen Bond Acceptor

6.0

Number of Rotational Bond

20.0

Polar Surface Area

84.02

Heavy Atoms

34.0

Resources	Reference
CAS NUMBER	15968-37-3
NORMAN SUSDAT
PubChem	85216
ChemSpider	76851.0

Resources

Reference

CAS NUMBER

15968-37-3

NORMAN SUSDAT

PubChem

85216

ChemSpider

76851.0

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

1,3,4,6-TETRAKIS(BUTOXYMETHYL)TETRAHYDROIMIDAZO(4,5-D)IMIDAZOLE-2,5(1H,3H)-DIONE

Structure

Physicochemical Descriptors

Cross References