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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H21NOS
Molecular Weight 251.388
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

CC[S@@+]([O-])CCCN1CCC2=C(C1)C=CC=C2

InChI

InChIKey=YKKQKMDOWYCXEX-QGZVFWFLSA-N
InChI=1S/C14H21NOS/c1-2-17(16)11-5-9-15-10-8-13-6-3-4-7-14(13)12-15/h3-4,6-7H,2,5,8-12H2,1H3/t17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C14H21NOS
Molecular Weight 251.388
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 01:32:33 GMT 2023
Edited
by admin
on Sat Dec 16 01:32:33 GMT 2023
Record UNII
SQ3W11R1HS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ESPROQUINE, (R)-
Common Name English
ISOQUINOLINE, 2-(3-(ETHYLSULFINYL)PROPYL)-1,2,3,4-TETRAHYDRO-, (R)-
Systematic Name English
Code System Code Type Description
FDA UNII
SQ3W11R1HS
Created by admin on Sat Dec 16 01:32:34 GMT 2023 , Edited by admin on Sat Dec 16 01:32:34 GMT 2023
PRIMARY
PUBCHEM
76972598
Created by admin on Sat Dec 16 01:32:34 GMT 2023 , Edited by admin on Sat Dec 16 01:32:34 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER