EcoDrugPlus


Synonyms	Briciclib sodium ON 013105
Status
Molecule Category	Salt-form
UNII	7C9N0VM8NR

Synonyms

Briciclib sodium

ON 013105

Status

Molecule Category

Salt-form

UNII

7C9N0VM8NR


InChI Key	MIBWXNAYNGADJD-MIIBGCIDSA-L
Smiles	COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(OP(=O)([O-])[O-])c2)c(OC)c1.[Na+].[Na+]
InChI	InChI=1S/C19H23O10PS.2Na/c1-25-14-10-17(27-3)15(18(11-14)28-4)7-8-31(23,24)12-13-5-6-16(26-2)19(9-13)29-30(20,21)22;;/h5-11H,12H2,1-4H3,(H2,20,21,22);;/q;2*+1/p-2/b8-7+;;

InChI Key

MIBWXNAYNGADJD-MIIBGCIDSA-L

Smiles

COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(OP(=O)([O-])[O-])c2)c(OC)c1.[Na+].[Na+]

InChI

InChI=1S/C19H23O10PS.2Na/c1-25-14-10-17(27-3)15(18(11-14)28-4)7-8-31(23,24)12-13-5-6-16(26-2)19(9-13)29-30(20,21)22;;/h5-11H,12H2,1-4H3,(H2,20,21,22);;/q;2*+1/p-2/b8-7+;;

Property Name	Value
Molecular Formula	C19H21Na2O10PS
Molecular Weight	518.39
AlogP	2.78
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	10.0
Polar Surface Area	137.82
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	31.0

Property Name

Value

Molecular Formula

C19H21Na2O10PS

Molecular Weight

518.39

AlogP

2.78

Hydrogen Bond Acceptor

8.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

10.0

Polar Surface Area

137.82

Molecular species

ACID

Aromatic Rings

2.0

Heavy Atoms

31.0

Resources	Reference
ChEMBL	CHEMBL3137303
FDA SRS	7C9N0VM8NR
PubChem	24754472

Resources

Reference

ChEMBL

CHEMBL3137303

FDA SRS

7C9N0VM8NR

PubChem

24754472

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

BRICICLIB SODIUM

Structure

Physicochemical Descriptors

Cross References