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Details

Stereochemistry UNKNOWN
Molecular Formula C21H30NO.Cl
Molecular Weight 347.922
Optical Activity ( - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUFENADRINE HYDROCHLORIDE, (-)-

SMILES

[Cl-].C[NH+](C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2C(C)(C)C

InChI

InChIKey=JJPFUNXMPATRID-UHFFFAOYSA-N
InChI=1S/C21H29NO.ClH/c1-21(2,3)19-14-10-9-13-18(19)20(23-16-15-22(4)5)17-11-7-6-8-12-17;/h6-14,20H,15-16H2,1-5H3;1H

HIDE SMILES / InChI

Molecular Formula Cl
Molecular Weight 35.453
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C21H30NO
Molecular Weight 312.469
Charge 1
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 10:27:06 GMT 2023
Edited
by admin
on Sat Dec 16 10:27:06 GMT 2023
Record UNII
5S398G84IR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUFENADRINE HYDROCHLORIDE, (-)-
Common Name English
ETHANAMINE, 2-((2-(1,1-DIMETHYLETHYL)PHENYL)PHENYLMETHOXY)-N,N-DIMETHYL-, HYDROCHLORIDE (1:1), (-)-
Systematic Name English
Code System Code Type Description
CAS
38456-13-2
Created by admin on Sat Dec 16 10:27:06 GMT 2023 , Edited by admin on Sat Dec 16 10:27:06 GMT 2023
PRIMARY
FDA UNII
5S398G84IR
Created by admin on Sat Dec 16 10:27:06 GMT 2023 , Edited by admin on Sat Dec 16 10:27:06 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER