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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H23N2O9.C21H46N
Molecular Weight 772.0227
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of STEARYLTRIMETHYLAMMONIUM OXYTETRACYCLINE

SMILES

CCCCCCCCCCCCCCCCCC[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=MNHLFMYRTXWFGB-IFLJXUKPSA-M
InChI=1S/C22H24N2O9.C21H46N/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;1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31);5-21H2,1-4H3/q;+1/p-1/t12-,13-,14+,17+,21-,22+;/m1./s1

HIDE SMILES / InChI

Molecular Formula C21H46N
Molecular Weight 312.5966
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 01:04:44 UTC 2023
Edited
by admin
on Sat Dec 16 01:04:44 UTC 2023
Record UNII
131F2L875R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
STEARYLTRIMETHYLAMMONIUM OXYTETRACYCLINE
Common Name English
OXYTETRACYCLINE OCTADECYLTRIMETHYLAMMONIUM SALT
Common Name English
Code System Code Type Description
FDA UNII
131F2L875R
Created by admin on Sat Dec 16 01:04:44 UTC 2023 , Edited by admin on Sat Dec 16 01:04:44 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE