PIRTENIDINE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H38N2
Molecular Weight	318.5398
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PIRTENIDINE

Structure Search

SMILES

CCCCCCCCN=C1C=CN(CCCCCCCC)C=C1

InChI

InChIKey=RGTPDNXJDCPXAB-UHFFFAOYSA-N

InChI=1S/C21H38N2/c1-3-5-7-9-11-13-17-22-21-15-19-23(20-16-21)18-14-12-10-8-6-4-2/h15-16,19-20H,3-14,17-18H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C21H38N2
Molecular Weight	318.5398
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 17:45:37 UTC 2023` Edited by `admin` on `Sat Dec 16 17:45:37 UTC 2023`
Record UNII	S6ON6743TM
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PIRTENIDINE

Official Name

English

N-(1-OCTYL-4(1H)-PYRIDINYLIDENE-1-OCTANAMINE

Common Name

English

1,4-DIHYDRO-1-OCTYL-4-(OCTYLIMINO)PYRIDINE

Systematic Name

English

pirtenidine [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C28394

Created by admin on Sat Dec 16 17:45:38 UTC 2023 , Edited by admin on Sat Dec 16 17:45:38 UTC 2023

Code System Code Type Description

ChEMBL

CHEMBL1194161

Created by admin on Sat Dec 16 17:45:38 UTC 2023 , Edited by admin on Sat Dec 16 17:45:38 UTC 2023

PRIMARY

EVMPD

SUB09944MIG

Created by admin on Sat Dec 16 17:45:38 UTC 2023 , Edited by admin on Sat Dec 16 17:45:38 UTC 2023

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SMS_ID

100000081702

Created by admin on Sat Dec 16 17:45:38 UTC 2023 , Edited by admin on Sat Dec 16 17:45:38 UTC 2023

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EPA CompTox

DTXSID90146143

Created by admin on Sat Dec 16 17:45:38 UTC 2023 , Edited by admin on Sat Dec 16 17:45:38 UTC 2023

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MESH

C062638

Created by admin on Sat Dec 16 17:45:38 UTC 2023 , Edited by admin on Sat Dec 16 17:45:38 UTC 2023

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NCI_THESAURUS

C84067

Created by admin on Sat Dec 16 17:45:38 UTC 2023 , Edited by admin on Sat Dec 16 17:45:38 UTC 2023

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FDA UNII

S6ON6743TM

Created by admin on Sat Dec 16 17:45:38 UTC 2023 , Edited by admin on Sat Dec 16 17:45:38 UTC 2023

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PUBCHEM

65879

Created by admin on Sat Dec 16 17:45:38 UTC 2023 , Edited by admin on Sat Dec 16 17:45:38 UTC 2023

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INN

6076

Created by admin on Sat Dec 16 17:45:38 UTC 2023 , Edited by admin on Sat Dec 16 17:45:38 UTC 2023

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CAS

103923-27-9

Created by admin on Sat Dec 16 17:45:38 UTC 2023 , Edited by admin on Sat Dec 16 17:45:38 UTC 2023

PRIMARY

Related Record Type Details


					1J30XTP76F

PIRTENIDINE HYDROCHLORIDE

SALT/SOLVATE -> PARENT

Related Record Type Details


					S6ON6743TM

ACTIVE MOIETY