EcoDrugPlus


Synonyms	Serdexmethylphenidate
Status
Molecule Category	Free-form
UNII	0H8KZ470DW

Synonyms

Serdexmethylphenidate

Status

Molecule Category

Free-form

UNII

0H8KZ470DW


InChI Key	UBZPNQRBUOBBLN-PWRODBHTSA-O
Smiles	COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1C(=O)OC[n+]1cccc(C(=O)N[C@@H](CO)C(=O)O)c1
InChI	InChI=1S/C25H29N3O8/c1-35-24(33)21(17-8-3-2-4-9-17)20-11-5-6-13-28(20)25(34)36-16-27-12-7-10-18(14-27)22(30)26-19(15-29)23(31)32/h2-4,7-10,12,14,19-21,29H,5-6,11,13,15-16H2,1H3,(H-,26,30,31,32)/p+1/t19-,20+,21+/m0/s1

InChI Key

UBZPNQRBUOBBLN-PWRODBHTSA-O

Smiles

COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1C(=O)OC[n+]1cccc(C(=O)N[C@@H](CO)C(=O)O)c1

InChI

InChI=1S/C25H29N3O8/c1-35-24(33)21(17-8-3-2-4-9-17)20-11-5-6-13-28(20)25(34)36-16-27-12-7-10-18(14-27)22(30)26-19(15-29)23(31)32/h2-4,7-10,12,14,19-21,29H,5-6,11,13,15-16H2,1H3,(H-,26,30,31,32)/p+1/t19-,20+,21+/m0/s1

Property Name	Value
Molecular Formula	C25H30N3O8+
Molecular Weight	500.53
AlogP	1.05
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	9.0
Polar Surface Area	146.35
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	36.0

Property Name

Value

Molecular Formula

C25H30N3O8+

Molecular Weight

500.53

AlogP

1.05

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

9.0

Polar Surface Area

146.35

Molecular species

ACID

Aromatic Rings

2.0

Heavy Atoms

36.0

Resources	Reference
ChEMBL	CHEMBL4301162
FDA SRS	0H8KZ470DW
SureChEMBL	SCHEMBL21775916

Resources

Reference

ChEMBL

CHEMBL4301162

FDA SRS

0H8KZ470DW

SureChEMBL

SCHEMBL21775916

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

SERDEXMETHYLPHENIDATE

Structure

Physicochemical Descriptors

Cross References