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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H23N2O9.C19H42N
Molecular Weight 743.9695
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CETYLTRIMETHYLAMMONIUM OXYTETRACYCLINE

SMILES

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

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 C22H23N2O9
Molecular Weight 459.426
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
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 / 1
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 20:40:03 GMT 2025
Edited
by admin
on Mon Mar 31 20:40:03 GMT 2025
Record UNII
101029L6QU
Record Status Validated (UNII)
Record Version
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Name Type Language
CETYLTRIMETHYLAMMONIUM OXYTETRACYCLINE
Common Name English
OXYTETRACYCLINE HEXADECYLTRIMETHYLAMMONIUM SALT
Preferred Name English
PALMITYLTRIMETHYLAMMONIUM OXYTETRACYCLINE
Common Name English
Code System Code Type Description
FDA UNII
101029L6QU
Created by admin on Mon Mar 31 20:40:03 GMT 2025 , Edited by admin on Mon Mar 31 20:40:03 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE