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Details

Stereochemistry RACEMIC
Molecular Formula C18H28N2O6S
Molecular Weight 400.49
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(3-(DIETHYLAMINO)PROPYL)-3,4-DIHYDRO-6,7-DIMETHOXY-2,1-BENZOXATHIIN-3-CARBOXAMIDE, 1,1-DIOXIDE

SMILES

CCN(CC)CCCNC(=O)C1CC2=CC(OC)=C(OC)C=C2S(=O)(=O)O1

InChI

InChIKey=GKMUNXZFFRKDML-UHFFFAOYSA-N
InChI=1S/C18H28N2O6S/c1-5-20(6-2)9-7-8-19-18(21)16-11-13-10-14(24-3)15(25-4)12-17(13)27(22,23)26-16/h10,12,16H,5-9,11H2,1-4H3,(H,19,21)

HIDE SMILES / InChI

Molecular Formula C18H28N2O6S
Molecular Weight 400.49
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:43:04 GMT 2023
Edited
by admin
on Sat Dec 16 11:43:04 GMT 2023
Record UNII
7V4480D4LK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(3-(DIETHYLAMINO)PROPYL)-3,4-DIHYDRO-6,7-DIMETHOXY-2,1-BENZOXATHIIN-3-CARBOXAMIDE, 1,1-DIOXIDE
Systematic Name English
2,1-BENZOXATHIIN-3-CARBOXAMIDE, N-(3-(DIETHYLAMINO)PROPYL)-3,4-DIHYDRO-6,7-DIMETHOXY-, 1,1-DIOXIDE
Systematic Name English
16-252
Code English
Code System Code Type Description
CAS
35423-52-0
Created by admin on Sat Dec 16 11:43:04 GMT 2023 , Edited by admin on Sat Dec 16 11:43:04 GMT 2023
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EPA CompTox
DTXSID00956836
Created by admin on Sat Dec 16 11:43:04 GMT 2023 , Edited by admin on Sat Dec 16 11:43:04 GMT 2023
PRIMARY
FDA UNII
7V4480D4LK
Created by admin on Sat Dec 16 11:43:04 GMT 2023 , Edited by admin on Sat Dec 16 11:43:04 GMT 2023
PRIMARY
PUBCHEM
169692
Created by admin on Sat Dec 16 11:43:04 GMT 2023 , Edited by admin on Sat Dec 16 11:43:04 GMT 2023
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