PIRTENIDINE HYDROCHLORIDE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H38N2.ClH
Molecular Weight	355.001
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PIRTENIDINE HYDROCHLORIDE

Structure Search

SMILES

Cl.CCCCCCCCN=C1C=CN(CCCCCCCC)C=C1

InChI

InChIKey=BQXQJMORUIBOJL-UHFFFAOYSA-N

InChI=1S/C21H38N2.ClH/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;1H

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

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 `Fri Dec 15 15:49:14 UTC 2023` Edited by `admin` on `Fri Dec 15 15:49:14 UTC 2023`
Record UNII	1J30XTP76F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PIRTENIDINE HYDROCHLORIDE

Official Name

English

PIRTENIDINE HCL

Common Name

English

WIN-52172-2

Code

English

PIRTENIDINE HYDROCHLORIDE [USAN]

Common Name

English

1,4-Dihydro-1-octyl-4-(octylimino)pyridine monohydrochloride

Systematic Name

English

WIN 52,172-2

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C28394

Created by admin on Fri Dec 15 15:49:14 UTC 2023 , Edited by admin on Fri Dec 15 15:49:14 UTC 2023

Code System Code Type Description

USAN

X-25

Created by admin on Fri Dec 15 15:49:14 UTC 2023 , Edited by admin on Fri Dec 15 15:49:14 UTC 2023

PRIMARY

EPA CompTox

DTXSID30143035

Created by admin on Fri Dec 15 15:49:14 UTC 2023 , Edited by admin on Fri Dec 15 15:49:14 UTC 2023

PRIMARY

ChEMBL

CHEMBL1194161

Created by admin on Fri Dec 15 15:49:14 UTC 2023 , Edited by admin on Fri Dec 15 15:49:14 UTC 2023

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CAS

100227-05-2

Created by admin on Fri Dec 15 15:49:14 UTC 2023 , Edited by admin on Fri Dec 15 15:49:14 UTC 2023

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NCI_THESAURUS

C66437

Created by admin on Fri Dec 15 15:49:14 UTC 2023 , Edited by admin on Fri Dec 15 15:49:14 UTC 2023

PRIMARY

FDA UNII

1J30XTP76F

Created by admin on Fri Dec 15 15:49:14 UTC 2023 , Edited by admin on Fri Dec 15 15:49:14 UTC 2023

PRIMARY

PUBCHEM

151111

Created by admin on Fri Dec 15 15:49:14 UTC 2023 , Edited by admin on Fri Dec 15 15:49:14 UTC 2023

PRIMARY

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