CITADIOL, (R)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H23FN2O2
Molecular Weight	342.4072
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN(C)CCC[C@@](O)(C1=CC=C(F)C=C1)C2=C(CO)C=C(C=C2)C#N

InChI

InChIKey=GNULRNVWXYXBQY-HXUWFJFHSA-N

InChI=1S/C20H23FN2O2/c1-23(2)11-3-10-20(25,17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24/h4-9,12,24-25H,3,10-11,14H2,1-2H3/t20-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H23FN2O2
Molecular Weight	342.4072
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:40:28 GMT 2025` Edited by `admin` on `Mon Mar 31 21:40:28 GMT 2025`
Record UNII	124W8V3MRM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(R)-CITADIOL

Preferred Name

English

CITADIOL, (R)-

Common Name

English

(+)-4-(4-(DIMETHYLAMINO)-1-(4-FLUOROPHENYL)-1-HYDROXYBUTYL)-3-(HYDROXYMETHYL)BENZONITRILE

Systematic Name

English

(R)-4-(4-(DIMETHYLAMINO)-1-(4-FLUOROPHENYL)-1-HYDROXY-1-BUTYL)-3-(HYDROXYMETHYL)BENZONITRILE

Systematic Name

English

BENZONITRILE, 4-((1R)-4-(DIMETHYLAMINO)-1-(4-FLUOROPHENYL)-1-HYDROXYBUTYL)-3-(HYDROXYMETHYL)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

7472055

Created by admin on Mon Mar 31 21:40:28 GMT 2025 , Edited by admin on Mon Mar 31 21:40:28 GMT 2025

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EPA CompTox

DTXSID60197425

Created by admin on Mon Mar 31 21:40:28 GMT 2025 , Edited by admin on Mon Mar 31 21:40:28 GMT 2025

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FDA UNII

124W8V3MRM

Created by admin on Mon Mar 31 21:40:28 GMT 2025 , Edited by admin on Mon Mar 31 21:40:28 GMT 2025

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CAS

481047-48-7

Created by admin on Mon Mar 31 21:40:28 GMT 2025 , Edited by admin on Mon Mar 31 21:40:28 GMT 2025

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