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Details

Stereochemistry ACHIRAL
Molecular Formula C18H28N2O4.C7H8ClN3O4S2
Molecular Weight 634.165
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SECRADEX

SMILES

NS(=O)(=O)C1=C(Cl)C=C2NCNS(=O)(=O)C2=C1.CCCC(=O)NC3=CC=C(OCC(O)CNC(C)C)C(=C3)C(C)=O

InChI

InChIKey=YYTCAHJLZIIVRC-UHFFFAOYSA-N
InChI=1S/C18H28N2O4.C7H8ClN3O4S2/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3;8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23);1-2,10-11H,3H2,(H2,9,12,13)

HIDE SMILES / InChI

Molecular Formula C18H28N2O4
Molecular Weight 336.4259
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula C7H8ClN3O4S2
Molecular Weight 297.739
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 18:25:06 GMT 2023
Edited
by admin
on Sat Dec 16 18:25:06 GMT 2023
Record UNII
TXL9SEV9B5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SECRADEX
Common Name English
ACEBUTOLOL-PHENOTHIAZINE COMBINATION
Common Name English
BUTANAMIDE, N-(3-ACETYL-4-(2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)PHENYL)-, MIXT. WITH 6-CHLORO-3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-7-SULFONAMIDE 1,1-DIOXIDE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00914895
Created by admin on Sat Dec 16 18:25:06 GMT 2023 , Edited by admin on Sat Dec 16 18:25:06 GMT 2023
PRIMARY
CAS
95646-61-0
Created by admin on Sat Dec 16 18:25:06 GMT 2023 , Edited by admin on Sat Dec 16 18:25:06 GMT 2023
PRIMARY
FDA UNII
TXL9SEV9B5
Created by admin on Sat Dec 16 18:25:06 GMT 2023 , Edited by admin on Sat Dec 16 18:25:06 GMT 2023
PRIMARY
PUBCHEM
146879
Created by admin on Sat Dec 16 18:25:06 GMT 2023 , Edited by admin on Sat Dec 16 18:25:06 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY
ACTIVE MOIETY