EcoDrugPlus


Synonyms	NM-283 DIHYDROCHLORIDE NM283 Valopicitabine dihydrochloride
Status
Molecule Category	Salt-form
UNII	7KNU786IT4

Synonyms

NM-283 DIHYDROCHLORIDE

NM283

Valopicitabine dihydrochloride

Status

Molecule Category

Salt-form

UNII

7KNU786IT4


InChI Key	XENHXZMAOSTXGD-DSMKLBDQSA-N
Smiles	CC(C)[C@H](N)C(=O)O[C@@H]1[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@]1(C)O.Cl.Cl
InChI	InChI=1S/C15H24N4O6.2ClH/c1-7(2)10(17)12(21)25-11-8(6-20)24-13(15(11,3)23)19-5-4-9(16)18-14(19)22;;/h4-5,7-8,10-11,13,20,23H,6,17H2,1-3H3,(H2,16,18,22);2*1H/t8-,10+,11-,13-,15-;;/m1../s1

InChI Key

XENHXZMAOSTXGD-DSMKLBDQSA-N

Smiles

CC(C)[C@H](N)C(=O)O[C@@H]1[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@]1(C)O.Cl.Cl

InChI

InChI=1S/C15H24N4O6.2ClH/c1-7(2)10(17)12(21)25-11-8(6-20)24-13(15(11,3)23)19-5-4-9(16)18-14(19)22;;/h4-5,7-8,10-11,13,20,23H,6,17H2,1-3H3,(H2,16,18,22);2*1H/t8-,10+,11-,13-,15-;;/m1../s1

Property Name	Value
Molecular Formula	C15H26Cl2N4O6
Molecular Weight	429.3
AlogP	-1.64
Hydrogen Bond Acceptor	10.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	5.0
Polar Surface Area	162.92
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C15H26Cl2N4O6

Molecular Weight

429.3

AlogP

-1.64

Hydrogen Bond Acceptor

10.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

5.0

Polar Surface Area

162.92

Molecular species

NEUTRAL

Aromatic Rings

1.0

Heavy Atoms

25.0

Resources	Reference
ChEMBL	CHEMBL1743757
FDA SRS	7KNU786IT4
PubChem	11293303
SureChEMBL	SCHEMBL1273017

Resources

Reference

ChEMBL

FDA SRS

PubChem

SureChEMBL

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

VALOPICITABINE DIHYDROCHLORIDE

Structure

Physicochemical Descriptors

Cross References