U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C10H14FNO.ClH
Molecular Weight 219.684
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-FLUOROPSEUDOEPHEDRINE HYDROCHLORIDE, (±)-

SMILES

Cl.CN[C@@H](C)[C@@H](O)C1=CC=C(F)C=C1

InChI

InChIKey=FENYPFLMDTWUKZ-XQRIHRDZSA-N
InChI=1S/C10H14FNO.ClH/c1-7(12-2)10(13)8-3-5-9(11)6-4-8;/h3-7,10,12-13H,1-2H3;1H/t7-,10+;/m0./s1

HIDE SMILES / InChI

Molecular Formula C10H14FNO
Molecular Weight 183.2227
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:48:22 GMT 2023
Edited
by admin
on Sat Dec 16 11:48:22 GMT 2023
Record UNII
31MU7ZWY3N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-FLUOROPSEUDOEPHEDRINE HYDROCHLORIDE, (±)-
Common Name English
BENZENEMETHANOL, 4-FLUORO-.ALPHA.-((1S)-1-(METHYLAMINO)ETHYL)-, HYDROCHLORIDE (1:1), (.ALPHA.S)-REL-
Systematic Name English
BENZYL ALCOHOL, P-FLUORO-.ALPHA.-(1-(METHYLAMINO)ETHYL)-, HYDROCHLORIDE, (±)-
Systematic Name English
Code System Code Type Description
CAS
322-25-8
Created by admin on Sat Dec 16 11:48:22 GMT 2023 , Edited by admin on Sat Dec 16 11:48:22 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
CAS
7799-73-7
Created by admin on Sat Dec 16 11:48:22 GMT 2023 , Edited by admin on Sat Dec 16 11:48:22 GMT 2023
PRIMARY
FDA UNII
31MU7ZWY3N
Created by admin on Sat Dec 16 11:48:22 GMT 2023 , Edited by admin on Sat Dec 16 11:48:22 GMT 2023
PRIMARY
PUBCHEM
121225687
Created by admin on Sat Dec 16 11:48:22 GMT 2023 , Edited by admin on Sat Dec 16 11:48:22 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE