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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H23N2O9.C11H26N
Molecular Weight 631.7569
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CAPRYLYLTRIMETHYLAMMONIUM OXYTETRACYCLINE

SMILES

CCCCCCCC[N+](C)(C)C.CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(C(=O)C4=C(C=CC=C4O)[C@@]3(C)O)=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1[O-]

InChI

InChIKey=DEKFZPLNLYZRQD-IFLJXUKPSA-M
InChI=1S/C22H24N2O9.C11H26N/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29;1-5-6-7-8-9-10-11-12(2,3)4/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31);5-11H2,1-4H3/q;+1/p-1/t12-,13-,14+,17+,21-,22+;/m1./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
OXYTETRACYCLINE OCTYLTRIMETHYLAMMONIUM SALT
Preferred Name English
CAPRYLYLTRIMETHYLAMMONIUM OXYTETRACYCLINE
Common Name English
Code System Code Type Description
FDA UNII
6VA2762563
Created by admin on Mon Mar 31 20:38:43 GMT 2025 , Edited by admin on Mon Mar 31 20:38:43 GMT 2025
PRIMARY