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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H42N.C14H13O3
Molecular Weight 513.7947
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CETYLTRIMETHYLAMMONIUM NAPROXENATE

SMILES

COC1=CC2=CC=C(C=C2C=C1)[C@H](C)C([O-])=O.CCCCCCCCCCCCCCCC[N+](C)(C)C

InChI

InChIKey=RNQBLUNNAYFBIW-NPULLEENSA-M
InChI=1S/C19H42N.C14H14O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h5-19H2,1-4H3;3-9H,1-2H3,(H,15,16)/q+1;/p-1/t;9-/m.0/s1

HIDE SMILES / InChI

Molecular Formula C14H13O3
Molecular Weight 229.2512
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C19H42N
Molecular Weight 284.5435
Charge 1
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 09:17:19 UTC 2023
Edited
by admin
on Sat Dec 16 09:17:19 UTC 2023
Record UNII
5333CM4X3G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CETYLTRIMETHYLAMMONIUM NAPROXENATE
Common Name English
Naproxen cetrimonium [WHO-DD]
Common Name English
Naproxen cetrimonium
Common Name English
1-HEXADECANAMINIUM, N,N,N-TRIMETHYL-, (.ALPHA.S)-6-METHOXY-.ALPHA.-METHYL-2-NAPHTHALENEACETIC ACID (1:1)
Systematic Name English
2-NAPHTHALENEACETIC ACID, 6-METHOXY-.ALPHA.-METHYL-, ION(1-), (.ALPHA.S)-, N,N,N-TRIMETHYL-1-HEXADECANAMINIUM
Systematic Name English
CETYL TRIMETHYLAMMONIUM NAPROXENATE
Common Name English
NITENS
Brand Name English
Code System Code Type Description
EVMPD
SUB47779
Created by admin on Sat Dec 16 09:17:19 UTC 2023 , Edited by admin on Sat Dec 16 09:17:19 UTC 2023
PRIMARY
CAS
102580-74-5
Created by admin on Sat Dec 16 09:17:19 UTC 2023 , Edited by admin on Sat Dec 16 09:17:19 UTC 2023
PRIMARY
SMS_ID
100000132595
Created by admin on Sat Dec 16 09:17:19 UTC 2023 , Edited by admin on Sat Dec 16 09:17:19 UTC 2023
PRIMARY
FDA UNII
5333CM4X3G
Created by admin on Sat Dec 16 09:17:19 UTC 2023 , Edited by admin on Sat Dec 16 09:17:19 UTC 2023
PRIMARY
PUBCHEM
91936934
Created by admin on Sat Dec 16 09:17:19 UTC 2023 , Edited by admin on Sat Dec 16 09:17:19 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE