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Details

Stereochemistry RACEMIC
Molecular Formula C21H28N2OS
Molecular Weight 356.525
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZO(B)THIOPHENE-4-ACETAMIDE, N-METHYL-N-((1R,2R)-2-(1-PYRROLIDINYL)CYCLOHEXYL)-, REL-

SMILES

CN([C@@H]1CCCC[C@H]1N2CCCC2)C(=O)CC3=CC=CC4=C3C=CS4

InChI

InChIKey=SYHJZCCNQDFHJQ-RTBURBONSA-N
InChI=1S/C21H28N2OS/c1-22(18-8-2-3-9-19(18)23-12-4-5-13-23)21(24)15-16-7-6-10-20-17(16)11-14-25-20/h6-7,10-11,14,18-19H,2-5,8-9,12-13,15H2,1H3/t18-,19-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H28N2OS
Molecular Weight 356.525
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Potentiation of kappa-opioid receptor agonist-induced analgesia and hypothermia by fluoxetine.
2001-06-23
Differential effects of fedotozine compared to other kappa agonists on diuresis in rats.
1996-12
Kappa opioid receptor agonists inhibit the pilocarpine-induced seizures and toxicity in the mouse.
1994-12
Highly selective kappa opioid analgesics. 4. Synthesis of some conformationally restricted naphthalene derivatives with high receptor affinity and selectivity.
1991-01
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:52:20 GMT 2025
Edited
by admin
on Mon Mar 31 19:52:20 GMT 2025
Record UNII
J324VS633R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZO(B)THIOPHENE-4-ACETAMIDE, N-METHYL-N-((1R,2R)-2-(1-PYRROLIDINYL)CYCLOHEXYL)-, REL-
Systematic Name English
PD-117302
Preferred Name English
BENZO(B)THIOPHENE-4-ACETAMIDE, N-METHYL-N-(2-(1-PYRROLIDINYL)CYCLOHEXYL)-, TRANS-(±)-
Common Name English
Code System Code Type Description
CAS
111728-01-9
Created by admin on Mon Mar 31 19:52:20 GMT 2025 , Edited by admin on Mon Mar 31 19:52:20 GMT 2025
PRIMARY
FDA UNII
J324VS633R
Created by admin on Mon Mar 31 19:52:20 GMT 2025 , Edited by admin on Mon Mar 31 19:52:20 GMT 2025
PRIMARY
EPA CompTox
DTXSID30920560
Created by admin on Mon Mar 31 19:52:20 GMT 2025 , Edited by admin on Mon Mar 31 19:52:20 GMT 2025
PRIMARY