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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 C21H30NO
Molecular Weight 312.469
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

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

Approval Year

Substance Class Chemical
Record UNII
4Z004R1S3U
Record Status Validated (UNII)
Record Version