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Details

Stereochemistry ACHIRAL
Molecular Formula C13H19NO4S.C6H15NO3
Molecular Weight 434.547
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Hexanoic acid, 6-[methyl(phenylsulfonyl)amino]-, compd. with 2,2′,2′′-nitrilotris[ethanol] (1:1)

SMILES

OCCN(CCO)CCO.CN(CCCCCC(O)=O)S(=O)(=O)C1=CC=CC=C1

InChI

InChIKey=ZRTNNBVVVUUNRM-UHFFFAOYSA-N
InChI=1S/C13H19NO4S.C6H15NO3/c1-14(11-7-3-6-10-13(15)16)19(17,18)12-8-4-2-5-9-12;8-4-1-7(2-5-9)3-6-10/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,15,16);8-10H,1-6H2

HIDE SMILES / InChI

Approval Year

Name Type Language
Hexanoic acid, 6-[methyl(phenylsulfonyl)amino]-, compd. with 2,2′,2′′-nitrilotris[ethanol] (1:1)
Systematic Name English
N-(Phenylsulfonyl)-N-methyl-ε-aminocaproic acid triethanolammonium salt
Common Name English
Hexanoic acid, 6-[methyl(phenylsulfonyl)amino]-, compd. with 2,2′,2′′-nitrilotris[ethanol]
Systematic Name English
Hexanoic acid, 6-(N-methylbenzenesulfonamido)-, compd. with 2,2′,2′′-nitrilotriethanol (1:1)
Common Name English
Ethanol, 2,2′,2′′-nitrilotris-, 6-[methyl(phenylsulfonyl)amino]hexanoate (salt)
Common Name English
HOSTACOR KSI
Common Name English
Ethanol, 2,2′,2′′-nitrilotri-, 6-(N-methylbenzenesulfonamido)hexanoate (salt)
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
248-107-3
Created by admin on Sat Dec 16 11:03:10 GMT 2023 , Edited by admin on Sat Dec 16 11:03:10 GMT 2023
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PUBCHEM
117891
Created by admin on Sat Dec 16 11:03:10 GMT 2023 , Edited by admin on Sat Dec 16 11:03:10 GMT 2023
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EPA CompTox
DTXSID0067268
Created by admin on Sat Dec 16 11:03:10 GMT 2023 , Edited by admin on Sat Dec 16 11:03:10 GMT 2023
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FDA UNII
PJV5NW89JR
Created by admin on Sat Dec 16 11:03:10 GMT 2023 , Edited by admin on Sat Dec 16 11:03:10 GMT 2023
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CAS
26919-50-6
Created by admin on Sat Dec 16 11:03:10 GMT 2023 , Edited by admin on Sat Dec 16 11:03:10 GMT 2023
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