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Details

Stereochemistry ACHIRAL
Molecular Formula C28H33F2N3.3ClH
Molecular Weight 558.961
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIFLUANINE HYDROCHLORIDE

SMILES

Cl.Cl.Cl.FC1=CC=C(C=C1)C(CCCN2CCN(CCNC3=CC=CC=C3)CC2)C4=CC=C(F)C=C4

InChI

InChIKey=PHAWDSYIEOZYEI-UHFFFAOYSA-N
InChI=1S/C28H33F2N3.3ClH/c29-25-12-8-23(9-13-25)28(24-10-14-26(30)15-11-24)7-4-17-32-19-21-33(22-20-32)18-16-31-27-5-2-1-3-6-27;;;/h1-3,5-6,8-15,28,31H,4,7,16-22H2;3*1H

HIDE SMILES / InChI

Molecular Formula C28H33F2N3
Molecular Weight 449.5785
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:11:42 GMT 2023
Edited
by admin
on Fri Dec 15 15:11:42 GMT 2023
Record UNII
29B946G2CZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIFLUANINE HYDROCHLORIDE
USAN  
USAN  
Official Name English
1-(2-ANILINOETHYL)-4-(4,4-BIS(P-FLUOROPHENYL)BUTYL)PIPERAZINE TRIHYDROCHLORIDE
Common Name English
MCN-JR-7242-11
Code English
DIFLUANINE HYDROCHLORIDE [USAN]
Common Name English
R-7242
Code English
1-PIPERAZINEETHANAMINE, 4-(4,4-BIS(4-FLUOROPHENYL)BUTYL)-N-PHENYL-, TRIHYDROCHLORIDE
Common Name English
R 7242
Code English
DIFLUANINE HCL
Common Name English
Code System Code Type Description
CAS
5522-33-8
Created by admin on Fri Dec 15 15:11:42 GMT 2023 , Edited by admin on Fri Dec 15 15:11:42 GMT 2023
PRIMARY
PUBCHEM
168917
Created by admin on Fri Dec 15 15:11:42 GMT 2023 , Edited by admin on Fri Dec 15 15:11:42 GMT 2023
PRIMARY
NCI_THESAURUS
C166558
Created by admin on Fri Dec 15 15:11:42 GMT 2023 , Edited by admin on Fri Dec 15 15:11:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID50203726
Created by admin on Fri Dec 15 15:11:42 GMT 2023 , Edited by admin on Fri Dec 15 15:11:42 GMT 2023
PRIMARY
ChEMBL
CHEMBL2110931
Created by admin on Fri Dec 15 15:11:42 GMT 2023 , Edited by admin on Fri Dec 15 15:11:42 GMT 2023
PRIMARY
FDA UNII
29B946G2CZ
Created by admin on Fri Dec 15 15:11:42 GMT 2023 , Edited by admin on Fri Dec 15 15:11:42 GMT 2023
PRIMARY
Related Record Type Details
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