EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	SFG2498J1U

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

SFG2498J1U


InChI Key	HITMZSXZYGLDCV-UHFFFAOYSA-N
Smiles	O=C1C2=C(N=CN2CCC(NCC(O)COC3=CC=CC=4NC(=CC34)C)C)N(C(=O)N1C)C
InChI	InChI=1/C23H30N6O4/c1-14(8-9-29-13-25-21-20(29)22(31)28(4)23(32)27(21)3)24-11-16(30)12-33-19-7-5-6-18-17(19)10-15(2)26-18/h5-7,10,13-14,16,24,26,30H,8-9,11-12H2,1-4H3

InChI Key

HITMZSXZYGLDCV-UHFFFAOYSA-N

Smiles

O=C1C2=C(N=CN2CCC(NCC(O)COC3=CC=CC=4NC(=CC34)C)C)N(C(=O)N1C)C

InChI

InChI=1/C23H30N6O4/c1-14(8-9-29-13-25-21-20(29)22(31)28(4)23(32)27(21)3)24-11-16(30)12-33-19-7-5-6-18-17(19)10-15(2)26-18/h5-7,10,13-14,16,24,26,30H,8-9,11-12H2,1-4H3

Property Name	Value
Molecular Formula	C23H30N6O4
Molecular Weight	454.23
AlogP	1.03
Hydrogen Bond Acceptor	9.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	9.0
Polar Surface Area	119.1
Heavy Atoms	33.0

Property Name

Value

Molecular Formula

C23H30N6O4

Molecular Weight

454.23

AlogP

1.03

Hydrogen Bond Acceptor

9.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

9.0

Polar Surface Area

119.1

Heavy Atoms

33.0

Resources	Reference
CAS NUMBER	65184-10-3
NORMAN SUSDAT
FDA SRS	SFG2498J1U
PubChem	68852

Resources

Reference

CAS NUMBER

65184-10-3

NORMAN SUSDAT

FDA SRS

SFG2498J1U

PubChem

68852

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

TEOPROLOL

Structure

Physicochemical Descriptors

Cross References