HEXAMIDINE DIPARABEN

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H26N4O2.2C7H6O3
Molecular Weight	630.6875
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)C1=CC=C(O)C=C1.OC(=O)C2=CC=C(O)C=C2.NC(=N)C3=CC=C(OCCCCCCOC4=CC=C(C=C4)C(N)=N)C=C3

InChI

InChIKey=XJJROVKTVSNUOG-UHFFFAOYSA-N

InChI=1S/C20H26N4O2.2C7H6O3/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24;2*8-6-3-1-5(2-4-6)7(9)10/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24);2*1-4,8H,(H,9,10)

HIDE SMILES / InChI

Molecular Formula	C7H6O3
Molecular Weight	138.1207
Charge	0
Count

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

Molecular Formula	C20H26N4O2
Molecular Weight	354.446
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 `Mon Mar 31 23:31:31 GMT 2025` Edited by `admin` on `Mon Mar 31 23:31:31 GMT 2025`
Record UNII	XBD058OZ1M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HEXAMIDINE DIPARABEN

Official Name

English

BENZENECARBOXIMIDAMIDE, 4,4'-(1,6-HEXANEDIYLBIS(OXY))BIS-, BIS(4-HYDROXYBENZOATE)

Preferred Name

English

BENZOIC ACID, 4-HYDROXY-, COMPD. WITH 4,4'-(1,6-HEXANEDIYLBIS(OXY))BIS(BENZENECARBOXIMIDAMIDE) (2:1)

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

299-055-3