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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

[H][C@]1(CCCC[C@H]1N2CCCC2)N(C)C(=O)CC3=C4C=CSC4=CC=C3

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
Highly selective kappa opioid analgesics. 4. Synthesis of some conformationally restricted naphthalene derivatives with high receptor affinity and selectivity.
1991 Jan
Kappa opioid receptor agonists inhibit the pilocarpine-induced seizures and toxicity in the mouse.
1994 Dec
Differential effects of fedotozine compared to other kappa agonists on diuresis in rats.
1996 Dec
Potentiation of kappa-opioid receptor agonist-induced analgesia and hypothermia by fluoxetine.
2001 May-Jun
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:39:21 GMT 2023
Edited
by admin
on Fri Dec 15 19:39:21 GMT 2023
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
Code 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 Fri Dec 15 19:39:21 GMT 2023 , Edited by admin on Fri Dec 15 19:39:21 GMT 2023
PRIMARY
PUBCHEM
122115
Created by admin on Fri Dec 15 19:39:21 GMT 2023 , Edited by admin on Fri Dec 15 19:39:21 GMT 2023
PRIMARY
FDA UNII
J324VS633R
Created by admin on Fri Dec 15 19:39:21 GMT 2023 , Edited by admin on Fri Dec 15 19:39:21 GMT 2023
PRIMARY
EPA CompTox
DTXSID30920560
Created by admin on Fri Dec 15 19:39:21 GMT 2023 , Edited by admin on Fri Dec 15 19:39:21 GMT 2023
PRIMARY