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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H36N6O9
Molecular Weight 600.6202
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-nitroso-desmethyl-tigecycline-2

SMILES

CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C(=O)C3=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O)C(O)=C(NC(=O)CNC(C)(C)C)C=C4N(C)N=O

InChI

InChIKey=PAGMSNQGBMUQNF-BQNNJVOVSA-N
InChI=1S/C28H36N6O9/c1-27(2,3)30-10-16(35)31-14-9-15(34(6)32-43)12-7-11-8-13-20(33(4)5)23(38)19(26(29)41)25(40)28(13,42)24(39)17(11)22(37)18(12)21(14)36/h9,11,13,20,30,36,38-39,42H,7-8,10H2,1-6H3,(H2,29,41)(H,31,35)/t11-,13-,20-,28-/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H36N6O9
Molecular Weight 600.6202
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 18:22:59 GMT 2025
Edited
by admin
on Wed Apr 02 18:22:59 GMT 2025
Record UNII
ZX3MBA863N
Record Status Validated (UNII)
Record Version
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Name Type Language
N-nitroso-desmethyl-tigecycline-2
Preferred Name English
Code System Code Type Description
FDA UNII
ZX3MBA863N
Created by admin on Wed Apr 02 18:22:59 GMT 2025 , Edited by admin on Wed Apr 02 18:22:59 GMT 2025
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