LAURYLTRIMETHYLAMMONIUM OXYTETRACYCLINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H23N2O9.C15H34N
Molecular Weight	687.8632
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of LAURYLTRIMETHYLAMMONIUM OXYTETRACYCLINE

Structure Search

SMILES

CCCCCCCCCCCC[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=ILIRYTYMYFHEKQ-IFLJXUKPSA-M

InChI=1S/C22H24N2O9.C15H34N/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(2,3)4/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31);5-15H2,1-4H3/q;+1/p-1/t12-,13-,14+,17+,21-,22+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C15H34N
Molecular Weight	228.4372
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 00:45:19 UTC 2023` Edited by `admin` on `Sat Dec 16 00:45:19 UTC 2023`
Record UNII	Z57907026Z
Record Status	`Validated (UNII)`
Record Version