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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H24N2O4S
Molecular Weight 400.491
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of REPINOTAN

SMILES

O=C1N(CCCCNC[C@H]2CCC3=CC=CC=C3O2)S(=O)(=O)C4=C1C=CC=C4

InChI

InChIKey=YGYBFMRFXNDIPO-QGZVFWFLSA-N
InChI=1S/C21H24N2O4S/c24-21-18-8-2-4-10-20(18)28(25,26)23(21)14-6-5-13-22-15-17-12-11-16-7-1-3-9-19(16)27-17/h1-4,7-10,17,22H,5-6,11-15H2/t17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H24N2O4S
Molecular Weight 400.491
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 Fri Dec 15 16:35:20 UTC 2023
Edited
by admin
on Fri Dec 15 16:35:20 UTC 2023
Record UNII
05PB82Z52L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
REPINOTAN
INN   MI   WHO-DD  
INN  
Official Name English
REPINOTAN [MI]
Common Name English
Repinotan [WHO-DD]
Common Name English
repinotan [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C47794
Created by admin on Fri Dec 15 16:35:20 UTC 2023 , Edited by admin on Fri Dec 15 16:35:20 UTC 2023
Code System Code Type Description
FDA UNII
05PB82Z52L
Created by admin on Fri Dec 15 16:35:20 UTC 2023 , Edited by admin on Fri Dec 15 16:35:20 UTC 2023
PRIMARY
WIKIPEDIA
REPINOTAN
Created by admin on Fri Dec 15 16:35:20 UTC 2023 , Edited by admin on Fri Dec 15 16:35:20 UTC 2023
PRIMARY
NCI_THESAURUS
C74388
Created by admin on Fri Dec 15 16:35:20 UTC 2023 , Edited by admin on Fri Dec 15 16:35:20 UTC 2023
PRIMARY
PUBCHEM
198757
Created by admin on Fri Dec 15 16:35:20 UTC 2023 , Edited by admin on Fri Dec 15 16:35:20 UTC 2023
PRIMARY
CAS
144980-29-0
Created by admin on Fri Dec 15 16:35:20 UTC 2023 , Edited by admin on Fri Dec 15 16:35:20 UTC 2023
PRIMARY
MERCK INDEX
m9527
Created by admin on Fri Dec 15 16:35:20 UTC 2023 , Edited by admin on Fri Dec 15 16:35:20 UTC 2023
PRIMARY Merck Index
ChEMBL
CHEMBL1614652
Created by admin on Fri Dec 15 16:35:20 UTC 2023 , Edited by admin on Fri Dec 15 16:35:20 UTC 2023
PRIMARY
INN
7600
Created by admin on Fri Dec 15 16:35:20 UTC 2023 , Edited by admin on Fri Dec 15 16:35:20 UTC 2023
PRIMARY
EPA CompTox
DTXSID80162857
Created by admin on Fri Dec 15 16:35:20 UTC 2023 , Edited by admin on Fri Dec 15 16:35:20 UTC 2023
PRIMARY
EVMPD
SUB04217MIG
Created by admin on Fri Dec 15 16:35:20 UTC 2023 , Edited by admin on Fri Dec 15 16:35:20 UTC 2023
PRIMARY
SMS_ID
100000085269
Created by admin on Fri Dec 15 16:35:20 UTC 2023 , Edited by admin on Fri Dec 15 16:35:20 UTC 2023
PRIMARY
DRUG BANK
DB06506
Created by admin on Fri Dec 15 16:35:20 UTC 2023 , Edited by admin on Fri Dec 15 16:35:20 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY