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Details

Stereochemistry RACEMIC
Molecular Formula C20H23FN2O2.ClH
Molecular Weight 378.868
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CITADIOL HYDROCHLORIDE

SMILES

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

InChI

InChIKey=DDEWMBUXBWUKOH-UHFFFAOYSA-N
InChI=1S/C20H23FN2O2.ClH/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 ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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 ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:08:42 GMT 2023
Edited
by admin
on Sat Dec 16 11:08:42 GMT 2023
Record UNII
CL7Y6W18S5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CITADIOL HYDROCHLORIDE
Common Name English
BENZONITRILE, 4-(4-(DIMETHYLAMINO)-1-(4-FLUOROPHENYL)-1-HYDROXYBUTYL)-3-(HYDROXYMETHYL)-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
CL7Y6W18S5
Created by admin on Sat Dec 16 11:08:42 GMT 2023 , Edited by admin on Sat Dec 16 11:08:42 GMT 2023
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CAS
717133-25-0
Created by admin on Sat Dec 16 11:08:42 GMT 2023 , Edited by admin on Sat Dec 16 11:08:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID70657742
Created by admin on Sat Dec 16 11:08:42 GMT 2023 , Edited by admin on Sat Dec 16 11:08:42 GMT 2023
PRIMARY
PUBCHEM
44182032
Created by admin on Sat Dec 16 11:08:42 GMT 2023 , Edited by admin on Sat Dec 16 11:08:42 GMT 2023
PRIMARY