CETYLPYRIDINIUM BROMIDE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H38N.Br
Molecular Weight	384.437
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CETYLPYRIDINIUM BROMIDE

Structure Search

SMILES

[Br-].CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1

InChI

InChIKey=DVBJBNKEBPCGSY-UHFFFAOYSA-M

InChI=1S/C21H38N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	BrH
Molecular Weight	80.912
Charge	0
Count

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

Molecular Formula	C21H38N
Molecular Weight	304.5331
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 15:22:38 UTC 2023` Edited by `admin` on `Fri Dec 15 15:22:38 UTC 2023`
Record UNII	O77BKZ14DE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CETYLPYRIDINIUM BROMIDE

Systematic Name

English

1-HEXADECYLPYRIDINIUM BROMIDE

Systematic Name

English

PYRIDINIUM, 1-HEXADECYL-, BROMIDE

Systematic Name

English

CETYLPYRIDINIUM BROMIDE [HSDB]

Common Name

English

NSC-8495

Code

English

Cetylpyridinium bromide [WHO-DD]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C28394

Created by admin on Fri Dec 15 15:22:38 UTC 2023 , Edited by admin on Fri Dec 15 15:22:38 UTC 2023

Code System Code Type Description

PUBCHEM

8816

Created by admin on Fri Dec 15 15:22:38 UTC 2023 , Edited by admin on Fri Dec 15 15:22:38 UTC 2023

PRIMARY

HSDB

6859

Created by admin on Fri Dec 15 15:22:38 UTC 2023 , Edited by admin on Fri Dec 15 15:22:38 UTC 2023

PRIMARY

DRUG BANK

DBSALT002695

Created by admin on Fri Dec 15 15:22:38 UTC 2023 , Edited by admin on Fri Dec 15 15:22:38 UTC 2023

PRIMARY

EPA CompTox

DTXSID3033307

Created by admin on Fri Dec 15 15:22:38 UTC 2023 , Edited by admin on Fri Dec 15 15:22:38 UTC 2023

PRIMARY

NCI_THESAURUS

C83617

Created by admin on Fri Dec 15 15:22:38 UTC 2023 , Edited by admin on Fri Dec 15 15:22:38 UTC 2023

PRIMARY

CAS

140-72-7

Created by admin on Fri Dec 15 15:22:38 UTC 2023 , Edited by admin on Fri Dec 15 15:22:38 UTC 2023

PRIMARY

NSC

8495

Created by admin on Fri Dec 15 15:22:38 UTC 2023 , Edited by admin on Fri Dec 15 15:22:38 UTC 2023

PRIMARY

FDA UNII

O77BKZ14DE

Created by admin on Fri Dec 15 15:22:38 UTC 2023 , Edited by admin on Fri Dec 15 15:22:38 UTC 2023

PRIMARY

CHEBI

77052

Created by admin on Fri Dec 15 15:22:38 UTC 2023 , Edited by admin on Fri Dec 15 15:22:38 UTC 2023

PRIMARY

ECHA (EC/EINECS)

205-428-3

Created by admin on Fri Dec 15 15:22:38 UTC 2023 , Edited by admin on Fri Dec 15 15:22:38 UTC 2023

PRIMARY

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