DEQUALINIUM ACETATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C30H40N4.2C2H3O2
Molecular Weight	574.7534
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC([O-])=O.CC([O-])=O.CC1=CC(N)=C2C=CC=CC2=[N+]1CCCCCCCCCC[N+]3=C4C=CC=CC4=C(N)C=C3C

InChI

InChIKey=IWYNVAJACBPVLT-UHFFFAOYSA-N

InChI=1S/C30H38N4.2C2H4O2/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34;2*1-2(3)4/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3;2*1H3,(H,3,4)

HIDE SMILES / InChI

Molecular Formula	C30H38N4
Molecular Weight	454.6495
Charge	0
Count

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

Molecular Formula	C2H4O2
Molecular Weight	60.052
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 15:14:45 UTC 2023` Edited by `admin` on `Fri Dec 15 15:14:45 UTC 2023`
Record UNII	P8W4UX112S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DEQUALINIUM ACETATE

Official Name

English

QUINOLINIUM, 1,1'-(1,10-DECANEDIYL)BIS(4-AMINO-2-METHYL-, DIACETATE

Systematic Name

English

1,1'-(DECANE-1,10-DIYL)BIS(4-AMINO-2-METHYLQUINOLINIUM) DIACETATE

Systematic Name

English

Dequalinium acetate [WHO-DD]

Common Name

English

DEQUALINIUM ACETATE [INCI]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C795