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

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H23NO2
Molecular Weight 261.3593
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEXYLCAINE, (R)-

SMILES

C[C@H](CNC1CCCCC1)OC(=O)C2=CC=CC=C2

InChI

InChIKey=DKLKMKYDWHYZTD-CYBMUJFWSA-N
InChI=1S/C16H23NO2/c1-13(12-17-15-10-6-3-7-11-15)19-16(18)14-8-4-2-5-9-14/h2,4-5,8-9,13,15,17H,3,6-7,10-12H2,1H3/t13-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H23NO2
Molecular Weight 261.3593
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:06:16 GMT 2023
Edited
by admin
on Sat Dec 16 11:06:16 GMT 2023
Record UNII
17ZZX184UA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEXYLCAINE, (R)-
Common Name English
2-PROPANOL, 1-(CYCLOHEXYLAMINO)-, 2-BENZOATE, (R)-
Systematic Name English
Code System Code Type Description
FDA UNII
17ZZX184UA
Created by admin on Sat Dec 16 11:06:16 GMT 2023 , Edited by admin on Sat Dec 16 11:06:16 GMT 2023
PRIMARY
PUBCHEM
57202485
Created by admin on Sat Dec 16 11:06:16 GMT 2023 , Edited by admin on Sat Dec 16 11:06:16 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER