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Details

Stereochemistry RACEMIC
Molecular Formula C20H23FN2O2.BrH
Molecular Weight 423.319
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CITADIOL HYDROBROMIDE

SMILES

Br.CN(C)CCCC(O)(C1=CC=C(F)C=C1)C2=CC=C(C=C2CO)C#N

InChI

InChIKey=RVGFHORHCHHPCZ-UHFFFAOYSA-N
InChI=1S/C20H23FN2O2.BrH/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;1H

HIDE SMILES / InChI

Molecular Formula C20H23FN2O2
Molecular Weight 342.4072
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula BrH
Molecular Weight 80.912
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 Sat Dec 16 10:27:23 GMT 2023
Edited
by admin
on Sat Dec 16 10:27:23 GMT 2023
Record UNII
5G2RC58G1K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CITADIOL HYDROBROMIDE
Common Name English
BENZONITRILE, 4-(4-(DIMETHYLAMINO)-1-(4-FLUOROPHENYL)-1-HYDROXYBUTYL)-3-(HYDROXYMETHYL)-, HYDROBROMIDE (1:1)
Systematic Name English
Code System Code Type Description
CAS
103146-26-5
Created by admin on Sat Dec 16 10:27:23 GMT 2023 , Edited by admin on Sat Dec 16 10:27:23 GMT 2023
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PUBCHEM
16079686
Created by admin on Sat Dec 16 10:27:23 GMT 2023 , Edited by admin on Sat Dec 16 10:27:23 GMT 2023
PRIMARY
FDA UNII
5G2RC58G1K
Created by admin on Sat Dec 16 10:27:23 GMT 2023 , Edited by admin on Sat Dec 16 10:27:23 GMT 2023
PRIMARY
EPA CompTox
DTXSID60582039
Created by admin on Sat Dec 16 10:27:23 GMT 2023 , Edited by admin on Sat Dec 16 10:27:23 GMT 2023
PRIMARY