EcoDrugPlus


Synonyms	Cytarabine hcl Cytarabine hydrochloride Cytosine arabinoside hydrochloride NSC-63878 U-19920A
Status
Molecule Category	Salt-form
UNII	33K3DB6591
EPA CompTox	DTXSID5024891
Parent Compound:	CYTARABINE

Synonyms

Cytarabine hcl

Cytarabine hydrochloride

Cytosine arabinoside hydrochloride

NSC-63878

U-19920A

Status

Molecule Category

Salt-form

UNII

33K3DB6591

EPA CompTox

DTXSID5024891

Parent Compound:

CYTARABINE


InChI Key	KCURWTAZOZXKSJ-JBMRGDGGSA-N
Smiles	Cl.Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
InChI	InChI=1S/C9H13N3O5.ClH/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8;/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16);1H/t4-,6-,7+,8-;/m1./s1

InChI Key

KCURWTAZOZXKSJ-JBMRGDGGSA-N

Smiles

Cl.Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1

InChI

InChI=1S/C9H13N3O5.ClH/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8;/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16);1H/t4-,6-,7+,8-;/m1./s1

Property Name	Value
Molecular Formula	C9H14ClN3O5
Molecular Weight	279.68
AlogP	-2.56
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	2.0
Polar Surface Area	130.83
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C9H14ClN3O5

Molecular Weight

279.68

AlogP

-2.56

Hydrogen Bond Acceptor

8.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

2.0

Polar Surface Area

130.83

Molecular species

NEUTRAL

Aromatic Rings

1.0

Heavy Atoms

17.0

Resources	Reference
ChEMBL	CHEMBL1256472
FDA SRS	33K3DB6591
PubChem	6252
SureChEMBL	SCHEMBL67288

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

CYTARABINE HYDROCHLORIDE

Structure

Physicochemical Descriptors

Cross References