IT-139

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C7H6N2.4Cl.Na.Ru
Molecular Weight	502.14
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of IT-139

Structure Search

SMILES

[Na+].[Cl-].[Cl-].[Cl-].[Cl-].[Ru+3].N1N=CC2=C1C=CC=C2.N3N=CC4=C3C=CC=C4

InChI

InChIKey=WVVOCRYXBTVDRN-UHFFFAOYSA-J

InChI=1S/2C7H6N2.4ClH.Na.Ru/c2*1-2-4-7-6(3-1)5-8-9-7;;;;;;/h2*1-5H,(H,8,9);4*1H;;/q;;;;;;+1;+3/p-4

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

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

Molecular Formula	Cl
Molecular Weight	35.453
Charge	-1
Count

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

Molecular Formula	Ru
Molecular Weight	101.07
Charge	3
Count

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

Molecular Formula	C7H6N2
Molecular Weight	118.1359
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 `Sat Dec 16 10:36:22 UTC 2023` Edited by `admin` on `Sat Dec 16 10:36:22 UTC 2023`
Record UNII	7OSJ9KS483
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

IT-139

Common Name

English

KP-1339

Code

English

NKP-1339

Code

English

RUTHENATE(1-), TETRACHLOROBIS(1H-INDAZOLE-.KAPPA.N2)-, SODIUM (1:1), (OC-6-11)-

Systematic Name

English

SODIUM HYDRIDE; TETRACHLORO-BIS(1H-INDAZOL-2-YL)RUTHENIUM

Systematic Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

813421

Created by admin on Sat Dec 16 10:36:22 UTC 2023 , Edited by admin on Sat Dec 16 10:36:22 UTC 2023

FDA ORPHAN DRUG

573817

Created by admin on Sat Dec 16 10:36:22 UTC 2023 , Edited by admin on Sat Dec 16 10:36:22 UTC 2023

Code System Code Type Description

FDA UNII

7OSJ9KS483

Created by admin on Sat Dec 16 10:36:22 UTC 2023 , Edited by admin on Sat Dec 16 10:36:22 UTC 2023

PRIMARY

CHEBI

176975

Created by admin on Sat Dec 16 10:36:22 UTC 2023 , Edited by admin on Sat Dec 16 10:36:22 UTC 2023

PRIMARY

SMS_ID

300000025371

Created by admin on Sat Dec 16 10:36:22 UTC 2023 , Edited by admin on Sat Dec 16 10:36:22 UTC 2023

PRIMARY

PUBCHEM

10481153

Created by admin on Sat Dec 16 10:36:22 UTC 2023 , Edited by admin on Sat Dec 16 10:36:22 UTC 2023

PRIMARY

CAS

197723-00-5

Created by admin on Sat Dec 16 10:36:22 UTC 2023 , Edited by admin on Sat Dec 16 10:36:22 UTC 2023

PRIMARY

NCI_THESAURUS

C97948

Created by admin on Sat Dec 16 10:36:22 UTC 2023 , Edited by admin on Sat Dec 16 10:36:22 UTC 2023

PRIMARY

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