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Details

Stereochemistry RACEMIC
Molecular Formula C25H32N2O2S
Molecular Weight 424.599
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SUNAGREL

SMILES

CC(C)SC1=CC=C(C=C1)[C@H](O)[C@@H](C)N2CCN(CC2)C(=O)C=CC3=CC=CC=C3

InChI

InChIKey=UUHFEOMKFKXLCB-VPBAMMSTSA-N
InChI=1S/C25H32N2O2S/c1-19(2)30-23-12-10-22(11-13-23)25(29)20(3)26-15-17-27(18-16-26)24(28)14-9-21-7-5-4-6-8-21/h4-14,19-20,25,29H,15-18H2,1-3H3/b14-9+/t20-,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H32N2O2S
Molecular Weight 424.599
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:46:55 GMT 2023
Edited
by admin
on Fri Dec 15 15:46:55 GMT 2023
Record UNII
1975R2L77E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SUNAGREL
INN  
INN  
Official Name English
ERYTHRO-4-CINNAMOYL-.ALPHA.-(P-(ISOPROPYLTHIO)PHENYL)-.BETA.-METHYL-1-PIPERAZINEETHANOL
Common Name English
sunagrel [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29703
Created by admin on Fri Dec 15 15:46:55 GMT 2023 , Edited by admin on Fri Dec 15 15:46:55 GMT 2023
NCI_THESAURUS C1327
Created by admin on Fri Dec 15 15:46:55 GMT 2023 , Edited by admin on Fri Dec 15 15:46:55 GMT 2023
Code System Code Type Description
CAS
85418-85-5
Created by admin on Fri Dec 15 15:46:55 GMT 2023 , Edited by admin on Fri Dec 15 15:46:55 GMT 2023
PRIMARY
INN
5567
Created by admin on Fri Dec 15 15:46:55 GMT 2023 , Edited by admin on Fri Dec 15 15:46:55 GMT 2023
PRIMARY
NCI_THESAURUS
C96926
Created by admin on Fri Dec 15 15:46:55 GMT 2023 , Edited by admin on Fri Dec 15 15:46:55 GMT 2023
PRIMARY
EPA CompTox
DTXSID101024692
Created by admin on Fri Dec 15 15:46:55 GMT 2023 , Edited by admin on Fri Dec 15 15:46:55 GMT 2023
PRIMARY
EVMPD
SUB10772MIG
Created by admin on Fri Dec 15 15:46:55 GMT 2023 , Edited by admin on Fri Dec 15 15:46:55 GMT 2023
PRIMARY
FDA UNII
1975R2L77E
Created by admin on Fri Dec 15 15:46:55 GMT 2023 , Edited by admin on Fri Dec 15 15:46:55 GMT 2023
PRIMARY
SMS_ID
100000082982
Created by admin on Fri Dec 15 15:46:55 GMT 2023 , Edited by admin on Fri Dec 15 15:46:55 GMT 2023
PRIMARY
PUBCHEM
76956156
Created by admin on Fri Dec 15 15:46:55 GMT 2023 , Edited by admin on Fri Dec 15 15:46:55 GMT 2023
PRIMARY
ChEMBL
CHEMBL2104522
Created by admin on Fri Dec 15 15:46:55 GMT 2023 , Edited by admin on Fri Dec 15 15:46:55 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY