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Details

Stereochemistry ACHIRAL
Molecular Formula C43H88N3O3.CH3O4S
Molecular Weight 806.274
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DISTEARYLAMIDOETHYL HYDROXYETHYLMONIUM METHOSULFATE

SMILES

COS([O-])(=O)=O.CCCCCCCCCCCCCCCCCC(=O)NCC[N+](C)(CCO)CCNC(=O)CCCCCCCCCCCCCCCCC

InChI

InChIKey=VNEGDXAQZWETNF-UHFFFAOYSA-N
InChI=1S/C43H87N3O3.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-42(48)44-36-38-46(3,40-41-47)39-37-45-43(49)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h47H,4-41H2,1-3H3,(H-,44,45,48,49);1H3,(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula C43H88N3O3
Molecular Weight 695.1771
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula CH3O4S
Molecular Weight 111.097
Charge -1
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 10:12:49 GMT 2023
Edited
by admin
on Sat Dec 16 10:12:49 GMT 2023
Record UNII
0G33T9BT4W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DISTEARYLAMIDOETHYL HYDROXYETHYLMONIUM METHOSULFATE
Common Name English
2-HYDROXY-N-METHYL-N,N-BIS(2-STEARAMIDOETHYL)ETHAN-1-AMINIUM METHYL SULFATE
Systematic Name English
ETHANAMINIUM, N-(2-HYDROXYETHYL)-N-METHYL-2-((1-OXOOCTADECYL)AMINO)-N-(2-((1-OXOOCTADECYL)AMINO)ETHYL)-, METHYL SULFATE (1:1)
Systematic Name English
ETHANAMINIUM, N-(2-HYDROXYETHYL)-N-METHYL-2-((1-OXOOCTADECYL)AMINO)-N-(2-((1-OXOOCTADECYL)AMINO)ETHYL)-, METHYL SULFATE (SALT)
Systematic Name English
Code System Code Type Description
PUBCHEM
87107335
Created by admin on Sat Dec 16 10:12:49 GMT 2023 , Edited by admin on Sat Dec 16 10:12:49 GMT 2023
PRIMARY
CAS
303732-39-0
Created by admin on Sat Dec 16 10:12:49 GMT 2023 , Edited by admin on Sat Dec 16 10:12:49 GMT 2023
PRIMARY
FDA UNII
0G33T9BT4W
Created by admin on Sat Dec 16 10:12:49 GMT 2023 , Edited by admin on Sat Dec 16 10:12:49 GMT 2023
PRIMARY