IROXANADINE

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NCATS

Details

Stereochemistry	UNKNOWN
Molecular Formula	C14H20N4O
Molecular Weight	260.3348
Optical Activity	( - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of IROXANADINE

Structure Search

SMILES

C(C1CONC(=N1)C2=CC=CN=C2)N3CCCCC3

InChI

InChIKey=QWVRTSZDKPRPDF-UHFFFAOYSA-N

InChI=1S/C14H20N4O/c1-2-7-18(8-3-1)10-13-11-19-17-14(16-13)12-5-4-6-15-9-12/h4-6,9,13H,1-3,7-8,10-11H2,(H,16,17)

HIDE SMILES / InChI

Molecular Formula	C14H20N4O
Molecular Weight	260.3348
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:26:55 UTC 2023` Edited by `admin` on `Fri Dec 15 17:26:55 UTC 2023`
Record UNII	6K69EJ1DL1
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

IROXANADINE

Official Name

English

(-)-5-(PIPERIDIN-1-YLMETHYL)-3-(PYRIDIN-3-YL)-5,6-DIHYDRO-2H-1,2,4-OXADIAZINE

Common Name

English

IROXANADINE, (-)-

Common Name

English

2H-1,2,4-OXADIAZINE, 5,6-DIHYDRO-5-(1-PIPERIDINYLMETHYL)-3-(3-PYRIDINYL)-, (-)-

Systematic Name

English

iroxanadine [INN]

Common Name

English

(-)-5,6-DIHYDRO-5-(1-PIPERIDINYLMETHYL)-3-(3-PYRIDINYL)-2H-1,2,4-OXADIAZINE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C2079

Created by admin on Fri Dec 15 17:26:55 UTC 2023 , Edited by admin on Fri Dec 15 17:26:55 UTC 2023

Code System Code Type Description

EPA CompTox

DTXSID40950313

Created by admin on Fri Dec 15 17:26:55 UTC 2023 , Edited by admin on Fri Dec 15 17:26:55 UTC 2023

PRIMARY

ChEMBL

CHEMBL2107433

Created by admin on Fri Dec 15 17:26:55 UTC 2023 , Edited by admin on Fri Dec 15 17:26:55 UTC 2023

PRIMARY

DRUG BANK

DB05444

Created by admin on Fri Dec 15 17:26:55 UTC 2023 , Edited by admin on Fri Dec 15 17:26:55 UTC 2023

PRIMARY

MESH

C469852

Created by admin on Fri Dec 15 17:26:55 UTC 2023 , Edited by admin on Fri Dec 15 17:26:55 UTC 2023

PRIMARY

FDA UNII

6K69EJ1DL1

Created by admin on Fri Dec 15 17:26:55 UTC 2023 , Edited by admin on Fri Dec 15 17:26:55 UTC 2023

PRIMARY

NCI_THESAURUS

C83837

Created by admin on Fri Dec 15 17:26:55 UTC 2023 , Edited by admin on Fri Dec 15 17:26:55 UTC 2023

PRIMARY

SMS_ID

300000036931

Created by admin on Fri Dec 15 17:26:55 UTC 2023 , Edited by admin on Fri Dec 15 17:26:55 UTC 2023

PRIMARY

CAS

276690-58-5

Created by admin on Fri Dec 15 17:26:55 UTC 2023 , Edited by admin on Fri Dec 15 17:26:55 UTC 2023

PRIMARY

PUBCHEM

6421776

Created by admin on Fri Dec 15 17:26:55 UTC 2023 , Edited by admin on Fri Dec 15 17:26:55 UTC 2023

PRIMARY

INN

8257

Created by admin on Fri Dec 15 17:26:55 UTC 2023 , Edited by admin on Fri Dec 15 17:26:55 UTC 2023

PRIMARY

Related Record Type Details


					3NXX6SVU3A

IROXANADINE HYDROCHLORIDE

SALT/SOLVATE -> PARENT

Amount:


					G8BQX4L89S

IROXANADINE SULFATE

SALT/SOLVATE -> PARENT

Amount:


					3JD92A4CWW

IROXANADINE, (+)-

ENANTIOMER -> ENANTIOMER

Amount:


					26PK8H52S5

IROXANADINE HYDROBROMIDE

SALT/SOLVATE -> PARENT

Amount:


					934VN4WJM3

IROXANADINE, (±)-

RACEMATE -> ENANTIOMER

Amount:

Related Record Type Details


					6K69EJ1DL1

ACTIVE MOIETY