U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C23H52NO3Si.Cl
Molecular Weight 454.202
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OCTADECYLDIMETHYL(3-TRIHYDROXYSILYLPROPYL)AMMONIUM CHLORIDE

SMILES

[Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[Si](O)(O)O

InChI

InChIKey=GVUBZTSOFTYNQE-UHFFFAOYSA-M
InChI=1S/C23H52NO3Si.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(2,3)22-20-23-28(25,26)27;/h25-27H,4-23H2,1-3H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C23H51NO3Si
Molecular Weight 417.7414
Charge 0
Count
Stereochemistry RACEMIC
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 07:57:33 UTC 2023
Edited
by admin
on Sat Dec 16 07:57:33 UTC 2023
Record UNII
GLJ50K866T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OCTADECYLDIMETHYL(3-TRIHYDROXYSILYLPROPYL)AMMONIUM CHLORIDE
Systematic Name English
1-OCTADECANAMINIUM, N,N-DIMETHYL-N-(3-(TRIHYDROXYSILYL)PROPYL)
Common Name English
3-(TRIHYDROXYSILYL)PROPYLDIMETHYLOCTADECYL AMMONIUM CHLORIDE
Systematic Name English
DIMETHYLOCTADECYL(3-(TRIHYDROXYSILYL)PROPYL)AMMONIUM CHLORIDE
Systematic Name English
AEM-5772-2
Code English
1-OCTADECANAMINIUM, N,N-DIMETHYL-N-(3-(TRIHYDROXYSILYL)PROPYL) CHLORIDE
Common Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 107403
Created by admin on Sat Dec 16 07:57:33 UTC 2023 , Edited by admin on Sat Dec 16 07:57:33 UTC 2023
Code System Code Type Description
RXCUI
1798701
Created by admin on Sat Dec 16 07:57:33 UTC 2023 , Edited by admin on Sat Dec 16 07:57:33 UTC 2023
PRIMARY
PUBCHEM
23137628
Created by admin on Sat Dec 16 07:57:33 UTC 2023 , Edited by admin on Sat Dec 16 07:57:33 UTC 2023
PRIMARY
RXCUI
1798702
Created by admin on Sat Dec 16 07:57:33 UTC 2023 , Edited by admin on Sat Dec 16 07:57:33 UTC 2023
ALTERNATIVE
EPA CompTox
DTXSID0048052
Created by admin on Sat Dec 16 07:57:33 UTC 2023 , Edited by admin on Sat Dec 16 07:57:33 UTC 2023
PRIMARY
DAILYMED
GLJ50K866T
Created by admin on Sat Dec 16 07:57:33 UTC 2023 , Edited by admin on Sat Dec 16 07:57:33 UTC 2023
PRIMARY
CAS
199111-50-7
Created by admin on Sat Dec 16 07:57:33 UTC 2023 , Edited by admin on Sat Dec 16 07:57:33 UTC 2023
PRIMARY
FDA UNII
GLJ50K866T
Created by admin on Sat Dec 16 07:57:33 UTC 2023 , Edited by admin on Sat Dec 16 07:57:33 UTC 2023
PRIMARY