O,O'-BIS(4-(IMIDAZOLIN-2-YL)-(2-METHOXY)PHENYL)-1,3-PROPANEDIOL DILACTATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C23H28N4O4.2C3H6O3
Molecular Weight	604.6487
Optical Activity	( + / - )
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of O,O'-BIS(4-(IMIDAZOLIN-2-YL)-(2-METHOXY)PHENYL)-1,3-PROPANEDIOL DILACTATE

Structure Search

SMILES

CC(O)C(O)=O.CC(O)C(O)=O.COC1=CC(=CC=C1OCCCOC2=C(OC)C=C(C=C2)C3=NCCN3)C4=NCCN4

InChI

InChIKey=VLRQYAUONGXWAO-UHFFFAOYSA-N

InChI=1S/C23H28N4O4.2C3H6O3/c1-28-20-14-16(22-24-8-9-25-22)4-6-18(20)30-12-3-13-31-19-7-5-17(15-21(19)29-2)23-26-10-11-27-23;2*1-2(4)3(5)6/h4-7,14-15H,3,8-13H2,1-2H3,(H,24,25)(H,26,27);2*2,4H,1H3,(H,5,6)

HIDE SMILES / InChI

Molecular Formula	C3H6O3
Molecular Weight	90.0779
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Molecular Formula	C23H28N4O4
Molecular Weight	424.4928
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 18:13:49 GMT 2025` Edited by `admin` on `Mon Mar 31 18:13:49 GMT 2025`
Record UNII	TVQ9MO41NP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DMP LACTATE

Preferred Name

English

O,O'-BIS(4-(IMIDAZOLIN-2-YL)-(2-METHOXY)PHENYL)-1,3-PROPANEDIOL DILACTATE

Systematic Name

English

PROPANOIC ACID, 2-HYDROXY-, COMPD. WITH 2,2'-(1,3-PROPANEDIYLBIS(OXY(3-METHOXY-4,1-PHENYLENE)))BIS(4,5-DIHYDRO-1H-IMIDAZOLE) (2:1)

Systematic Name

English

1,3-DI(4-IMIDAZOLINO-2-METHOXYPHENOXY) PROPANE LACTATE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID30934485