SAMPIRTINE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H12FN3
Molecular Weight	217.2422
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SAMPIRTINE

Structure Search

SMILES

NC1=CC=C(CC2=CC=C(F)C=C2)C(N)=N1

InChI

InChIKey=DUMKNGZKVPFVAR-UHFFFAOYSA-N

InChI=1S/C12H12FN3/c13-10-4-1-8(2-5-10)7-9-3-6-11(14)16-12(9)15/h1-6H,7H2,(H4,14,15,16)

HIDE SMILES / InChI

Molecular Formula	C12H12FN3
Molecular Weight	217.2422
Charge	0
Count

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

Approval Year

Targets

Targets

Primary Target	Pharmacology	Condition	Potency
inflammatory response 47 Target ID: GO:0006954 Sources: https://apps.who.int/medicinedocs/documents/h5783e/h5783e.pdf	Inhibitor 8297

Patents

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:32:26 GMT 2023` Edited by `admin` on `Fri Dec 15 16:32:26 GMT 2023`
Record UNII	9684V5J83L
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

SAMPIRTINE

Official Name

English

sampirtine [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C241

Created by admin on Fri Dec 15 16:32:26 GMT 2023 , Edited by admin on Fri Dec 15 16:32:26 GMT 2023

Code System Code Type Description

EPA CompTox

DTXSID20151225

Created by admin on Fri Dec 15 16:32:26 GMT 2023 , Edited by admin on Fri Dec 15 16:32:26 GMT 2023

PRIMARY

EVMPD

SUB10439MIG

Created by admin on Fri Dec 15 16:32:26 GMT 2023 , Edited by admin on Fri Dec 15 16:32:26 GMT 2023

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FDA UNII

9684V5J83L

Created by admin on Fri Dec 15 16:32:26 GMT 2023 , Edited by admin on Fri Dec 15 16:32:26 GMT 2023

PRIMARY

ChEMBL

CHEMBL2105558

Created by admin on Fri Dec 15 16:32:26 GMT 2023 , Edited by admin on Fri Dec 15 16:32:26 GMT 2023

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SMS_ID

100000084051

Created by admin on Fri Dec 15 16:32:26 GMT 2023 , Edited by admin on Fri Dec 15 16:32:26 GMT 2023

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NCI_THESAURUS

C72128

Created by admin on Fri Dec 15 16:32:26 GMT 2023 , Edited by admin on Fri Dec 15 16:32:26 GMT 2023

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CAS

115911-28-9

Created by admin on Fri Dec 15 16:32:26 GMT 2023 , Edited by admin on Fri Dec 15 16:32:26 GMT 2023

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INN

6487

Created by admin on Fri Dec 15 16:32:26 GMT 2023 , Edited by admin on Fri Dec 15 16:32:26 GMT 2023

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PUBCHEM

3058745

Created by admin on Fri Dec 15 16:32:26 GMT 2023 , Edited by admin on Fri Dec 15 16:32:26 GMT 2023

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Related Record Type Details


					9684V5J83L

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