SILMITASERTIB SODIUM

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C19H11ClN3O2.Na
Molecular Weight	371.752
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SILMITASERTIB SODIUM

Structure Search

SMILES

[Na+].[O-]C(=O)C1=CC2=C(C=C1)C3=C(C=CN=C3)C(NC4=CC(Cl)=CC=C4)=N2

InChI

InChIKey=ODDAAPQSODILSN-UHFFFAOYSA-M

InChI=1S/C19H12ClN3O2.Na/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18;/h1-10H,(H,22,23)(H,24,25);/q;+1/p-1

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	C19H11ClN3O2
Molecular Weight	348.763
Charge	-1
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 `Fri Dec 15 19:10:02 UTC 2023` Edited by `admin` on `Fri Dec 15 19:10:02 UTC 2023`
Record UNII	N1E607PU86
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SILMITASERTIB SODIUM

Common Name

English

CX4945 SODIUM

Code

English

5-((3-CHLOROPHENYL)AMINO)-BENZO(C)-2,6-NAPHTHYRIDINE-8-CARBOXYLIC ACID SODIUM SALT

Common Name

English

BENZO(C)-2,6-NAPHTHYRIDINE-8-CARBOXYLIC ACID, 5-((3-CHLOROPHENYL)AMINO)-, SODIUM SALT (1:1)

Systematic Name

English

CX-4945 SODIUM

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C1404

Created by admin on Fri Dec 15 19:10:03 UTC 2023 , Edited by admin on Fri Dec 15 19:10:03 UTC 2023

NCI_THESAURUS

C129825

Created by admin on Fri Dec 15 19:10:03 UTC 2023 , Edited by admin on Fri Dec 15 19:10:03 UTC 2023

Code System Code Type Description

EPA CompTox

DTXSID20156795

Created by admin on Fri Dec 15 19:10:03 UTC 2023 , Edited by admin on Fri Dec 15 19:10:03 UTC 2023

PRIMARY

CAS

1309357-15-0

Created by admin on Fri Dec 15 19:10:03 UTC 2023 , Edited by admin on Fri Dec 15 19:10:03 UTC 2023

PRIMARY

SMS_ID

300000021750

Created by admin on Fri Dec 15 19:10:03 UTC 2023 , Edited by admin on Fri Dec 15 19:10:03 UTC 2023

PRIMARY

PUBCHEM

49788959

Created by admin on Fri Dec 15 19:10:03 UTC 2023 , Edited by admin on Fri Dec 15 19:10:03 UTC 2023

PRIMARY

FDA UNII

N1E607PU86

Created by admin on Fri Dec 15 19:10:03 UTC 2023 , Edited by admin on Fri Dec 15 19:10:03 UTC 2023

PRIMARY

NCI_THESAURUS

C85460

Created by admin on Fri Dec 15 19:10:03 UTC 2023 , Edited by admin on Fri Dec 15 19:10:03 UTC 2023

PRIMARY

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