EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
UNII	9164VT6ANB

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

UNII

9164VT6ANB


InChI Key	UDOXKBJCUVONJD-UHFFFAOYSA-N
Smiles	[Na+].O[P](O)(=O)Oc1ccc(cc1)C(c2ccc(O[P](O)(O)=O)cc2)c3ccccn3
InChI	InChI=1S/C18H17NO8P2/c20-28(21,22)26-15-8-4-13(5-9-15)18(17-3-1-2-12-19-17)14-6-10-16(11-7-14)27-29(23,24)25/h1-12,18H,(H2,20,21,22)(H2,23,24,25)

InChI Key

UDOXKBJCUVONJD-UHFFFAOYSA-N

Smiles

[Na+].O[P](O)(=O)Oc1ccc(cc1)C(c2ccc(O[P](O)(O)=O)cc2)c3ccccn3

InChI

InChI=1S/C18H17NO8P2/c20-28(21,22)26-15-8-4-13(5-9-15)18(17-3-1-2-12-19-17)14-6-10-16(11-7-14)27-29(23,24)25/h1-12,18H,(H2,20,21,22)(H2,23,24,25)

Property Name	Value
Molecular Formula	C18H17N1O8P2
Molecular Weight	437.04
AlogP	3.2
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	7.0
Polar Surface Area	146.41
Heavy Atoms	29.0

Property Name

Value

Molecular Formula

C18H17N1O8P2

Molecular Weight

437.04

AlogP

3.2

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

7.0

Polar Surface Area

146.41

Heavy Atoms

29.0

Resources	Reference
CAS NUMBER	36175-05-0
NORMAN SUSDAT
FDA SRS	9164VT6ANB

Resources

Reference

CAS NUMBER

36175-05-0

NORMAN SUSDAT

FDA SRS

9164VT6ANB

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

SODIUM PICOFOSFATE

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