Dehydrohexetidine

Details

Stereochemistry	MIXED
Molecular Formula	C21H43N3
Molecular Weight	337.5862
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCC(CC)CNCC1(C)CN(CC(CC)CCCC)C=N1

InChI

InChIKey=WYIXWBXIDLGTCJ-UHFFFAOYSA-N

InChI=1S/C21H43N3/c1-6-10-12-19(8-3)14-22-16-21(5)17-24(18-23-21)15-20(9-4)13-11-7-2/h18-20,22H,6-17H2,1-5H3

HIDE SMILES / InChI

Molecular Formula	C21H43N3
Molecular Weight	337.5862
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:56:04 UTC 2023` Edited by `admin` on `Sat Dec 16 19:56:04 UTC 2023`
Record UNII	UVU7K3N47B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Dehydrohexetidine

Common Name

English

HEXETIDINE IMPURITY A [EP IMPURITY]

Common Name

English

N,1-Bis(2-ethylhexyl)-4,5-dihydro-4-methyl-1H-imidazole-4-methanamine

Systematic Name

English

1H-Imidazole-4-methanamine, N,1-bis(2-ethylhexyl)-4,5-dihydro-4-methyl-

Systematic Name

English

2-ethyl-N-[[1-(2-ethylhexyl)-4-methyl-4,5-dihydro-1H-imidazol-4-yl]methyl]hexan-1-amine

Systematic Name

English

Code System Code Type Description

PUBCHEM

10404830

Created by admin on Sat Dec 16 19:56:05 UTC 2023 , Edited by admin on Sat Dec 16 19:56:05 UTC 2023

PRIMARY

FDA UNII

UVU7K3N47B

Created by admin on Sat Dec 16 19:56:05 UTC 2023 , Edited by admin on Sat Dec 16 19:56:05 UTC 2023

PRIMARY

CAS

188655-38-1

Created by admin on Sat Dec 16 19:56:05 UTC 2023 , Edited by admin on Sat Dec 16 19:56:05 UTC 2023

PRIMARY

Related Record Type Details


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HEXETIDINE

PARENT -> IMPURITY

Amount: