MLN-944

Details

Stereochemistry	ACHIRAL
Molecular Formula	C34H34N8O2
Molecular Weight	586.6862
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=CC2=NC3=CC=CC(C(=O)NCCNCCNCCNC(=O)C4=CC=CC5=NC6=CC=CC(C)=C6N=C45)=C3N=C12

InChI

InChIKey=SFOADSRLCHRTKT-UHFFFAOYSA-N

InChI=1S/C34H34N8O2/c1-21-7-3-11-25-29(21)41-31-23(9-5-13-27(31)39-25)33(43)37-19-17-35-15-16-36-18-20-38-34(44)24-10-6-14-28-32(24)42-30-22(2)8-4-12-26(30)40-28/h3-14,35-36H,15-20H2,1-2H3,(H,37,43)(H,38,44)

HIDE SMILES / InChI

Molecular Formula	C34H34N8O2
Molecular Weight	586.6862
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:42:47 GMT 2025` Edited by `admin` on `Mon Mar 31 23:42:47 GMT 2025`
Record UNII	LJH9XG66Q9
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

XR-5944

Preferred Name

English

MLN-944

Code

English

1-PHENAZINECARBOXAMIDE, N,N'-(1,2-ETHANEDIYLBIS(IMINO-2,1-ETHANEDIYL))BIS(9-METHYL-

Systematic Name

English

9-METHYL-N-(2-(2-(2-((9-METHYLPHENAZINE-1-CARBONYL)AMINO)ETHYLAMINO)ETHYLAMINO)ETHYL)PHENAZINE-1-CARBOXAMIDE

Systematic Name

English

XR-5944.14

Code

English

N,N'-(1,2-ETHANEDIYLBIS(IMINO-2,1-ETHANEDIYL))BIS(9-METHYL-1-PHENAZINECARBOXAMIDE)

Systematic Name

English

XR5944

Code

English

Code System Code Type Description

EPA CompTox

DTXSID10187891

Created by admin on Mon Mar 31 23:42:47 GMT 2025 , Edited by admin on Mon Mar 31 23:42:47 GMT 2025

PRIMARY

CAS

343247-32-5

Created by admin on Mon Mar 31 23:42:47 GMT 2025 , Edited by admin on Mon Mar 31 23:42:47 GMT 2025

PRIMARY

PUBCHEM

439035

Created by admin on Mon Mar 31 23:42:47 GMT 2025 , Edited by admin on Mon Mar 31 23:42:47 GMT 2025

PRIMARY

FDA UNII

LJH9XG66Q9

Created by admin on Mon Mar 31 23:42:47 GMT 2025 , Edited by admin on Mon Mar 31 23:42:47 GMT 2025

PRIMARY

Related Record Type Details


					9XT9MUJ3NX

MLN-944 DIMETHANESULFONATE

SALT/SOLVATE -> PARENT

Related Record Type Details


					LJH9XG66Q9

MLN-944

ACTIVE MOIETY

Comments:

MLN944 (XR5944) is a novel bis-phenazine that has demonstrated exceptional efficacy against a number of murine and human tumor models.