EcoDrugPlus


Synonyms	Lumitrace MB-102 Mb-102 Relmapirazin
Status
Molecule Category	Free-form
UNII	Q3UQB8PQ6H

Synonyms

Lumitrace

MB-102

Mb-102

Relmapirazin

Status

Molecule Category

Free-form

UNII

Q3UQB8PQ6H


InChI Key	XHNJXRDGTITISI-QWWZWVQMSA-N
Smiles	Nc1nc(C(=O)N[C@H](CO)C(=O)O)c(N)nc1C(=O)N[C@H](CO)C(=O)O
InChI	InChI=1S/C12H16N6O8/c13-7-5(9(21)15-3(1-19)11(23)24)17-8(14)6(18-7)10(22)16-4(2-20)12(25)26/h3-4,19-20H,1-2H2,(H2,14,17)(H2,13,18)(H,15,21)(H,16,22)(H,23,24)(H,25,26)/t3-,4-/m1/s1

InChI Key

XHNJXRDGTITISI-QWWZWVQMSA-N

Smiles

Nc1nc(C(=O)N[C@H](CO)C(=O)O)c(N)nc1C(=O)N[C@H](CO)C(=O)O

InChI

InChI=1S/C12H16N6O8/c13-7-5(9(21)15-3(1-19)11(23)24)17-8(14)6(18-7)10(22)16-4(2-20)12(25)26/h3-4,19-20H,1-2H2,(H2,14,17)(H2,13,18)(H,15,21)(H,16,22)(H,23,24)(H,25,26)/t3-,4-/m1/s1

Property Name	Value
Molecular Formula	C12H16N6O8
Molecular Weight	372.29
AlogP	-4.01
Hydrogen Bond Acceptor	10.0
Hydrogen Bond Donor	8.0
Number of Rotational Bond	8.0
Polar Surface Area	251.08
Molecular species	ACID
Aromatic Rings	1.0
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C12H16N6O8

Molecular Weight

372.29

AlogP

-4.01

Hydrogen Bond Acceptor

10.0

Hydrogen Bond Donor

8.0

Number of Rotational Bond

8.0

Polar Surface Area

251.08

Molecular species

ACID

Aromatic Rings

1.0

Heavy Atoms

26.0

Resources	Reference
ChEMBL	CHEMBL1949708
FDA SRS	Q3UQB8PQ6H
PubChem	53389120
SureChEMBL	SCHEMBL16738795
ZINC	ZINC000073197214

Resources

Reference

ChEMBL

FDA SRS

PubChem

SureChEMBL

ZINC

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

RELMAPIRAZIN

Structure

Physicochemical Descriptors

Cross References