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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H23N2O9.C19H42N
Molecular Weight 743.9695
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CETYLTRIMETHYLAMMONIUM OXYTETRACYCLINE

SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)C.[H][C@@]12[C@@H](O)[C@@]3([H])C(C(=O)C4=C(O)C=CC=C4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(N)=O)=C([O-])[C@H]2N(C)C

InChI

InChIKey=LTEUHOKRPPEEKG-IFLJXUKPSA-M
InChI=1S/C22H24N2O9.C19H42N/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;1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31);5-19H2,1-4H3/q;+1/p-1/t12-,13-,14+,17+,21-,22+;/m1./s1

HIDE SMILES / InChI

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

Molecular Formula C22H23N2O9
Molecular Weight 459.426
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 00:45:20 GMT 2023
Edited
by admin
on Sat Dec 16 00:45:20 GMT 2023
Record UNII
101029L6QU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CETYLTRIMETHYLAMMONIUM OXYTETRACYCLINE
Common Name English
OXYTETRACYCLINE HEXADECYLTRIMETHYLAMMONIUM SALT
Common Name English
PALMITYLTRIMETHYLAMMONIUM OXYTETRACYCLINE
Common Name English
Code System Code Type Description
FDA UNII
101029L6QU
Created by admin on Sat Dec 16 00:45:20 GMT 2023 , Edited by admin on Sat Dec 16 00:45:20 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE