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Details

Stereochemistry ACHIRAL
Molecular Formula C6H17NO12P3.Na
Molecular Weight 411.1097
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM TRIETHANOLAMINE TRIS(DIHYDROGEN PHOSPHATE)

SMILES

[Na+].OP(O)(=O)OCCN(CCOP(O)(O)=O)CCOP(O)([O-])=O

InChI

InChIKey=PKDCIYMJLFIYQY-UHFFFAOYSA-M
InChI=1S/C6H18NO12P3.Na/c8-20(9,10)17-4-1-7(2-5-18-21(11,12)13)3-6-19-22(14,15)16;/h1-6H2,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16);/q;+1/p-1

HIDE SMILES / InChI
Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C6H17NO12P3
Molecular Weight 388.12
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

2013
596
Patents

Patents

20070062653
2
20080277083
2
20100269993
2
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:16:29 GMT 2023
Edited
by admin
on Sat Dec 16 08:16:29 GMT 2023
Record UNII
401ITQ0X8B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM TRIETHANOLAMINE TRIS(DIHYDROGEN PHOSPHATE)
Systematic Name English
SODIUM 2-(BIS(2-(PHOSPHONOOXY)ETHYL)AMINO)ETHYL HYDROGEN PHOSPHATE
Systematic Name English
ETHANOL, 2,2',2''-NITRILOTRIS-, TRIS(DIHYDROGEN PHOSPHATE) (ESTER), TRISODIUM SALT
Systematic Name English
ETHANOL, 2,2',2''-NITRILOTRIS-, 1,1',1''-TRIS(DIHYDROGEN PHOSPHATE), SODIUM SALT (1:3)
Systematic Name English
2,2',2''-NITRILOTRISETHYL TRIS(DIHYDROGEN PHOSPHATE), SODIUM SALT
Common Name English
ETHANOL, 2,2',2''-NITRILOTRIS-, TRIS(DIHYDROGEN PHOSPHATE) (ESTER), SODIUM SALT
Common Name English
Code System Code Type Description
CAS
68171-29-9
Created by admin on Sat Dec 16 08:16:29 GMT 2023 , Edited by admin on Sat Dec 16 08:16:29 GMT 2023
NON-SPECIFIC STOICHIOMETRY
FDA UNII
401ITQ0X8B
Created by admin on Sat Dec 16 08:16:29 GMT 2023 , Edited by admin on Sat Dec 16 08:16:29 GMT 2023
PRIMARY
ECHA (EC/EINECS)
266-232-1
Created by admin on Sat Dec 16 08:16:29 GMT 2023 , Edited by admin on Sat Dec 16 08:16:29 GMT 2023
PRIMARY
EPA CompTox
DTXSID30984682
Created by admin on Sat Dec 16 08:16:29 GMT 2023 , Edited by admin on Sat Dec 16 08:16:29 GMT 2023
PRIMARY
PUBCHEM
23687329
Created by admin on Sat Dec 16 08:16:29 GMT 2023 , Edited by admin on Sat Dec 16 08:16:29 GMT 2023
PRIMARY
ECHA (EC/EINECS)
269-020-7
Created by admin on Sat Dec 16 08:16:29 GMT 2023 , Edited by admin on Sat Dec 16 08:16:29 GMT 2023
ALTERNATIVE
CAS
66197-79-3
Created by admin on Sat Dec 16 08:16:29 GMT 2023 , Edited by admin on Sat Dec 16 08:16:29 GMT 2023
PRIMARY
DAILYMED
401ITQ0X8B
Created by admin on Sat Dec 16 08:16:29 GMT 2023 , Edited by admin on Sat Dec 16 08:16:29 GMT 2023
PRIMARY
RXCUI
2534446
Created by admin on Sat Dec 16 08:16:29 GMT 2023 , Edited by admin on Sat Dec 16 08:16:29 GMT 2023
PRIMARY
Related Record Type Details
Structure of TRIETHANOLAMINE TRIS(DIHYDROGEN PHOSPHATE)
PARENT -> SALT/SOLVATE
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