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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H18ClN3O9
Molecular Weight 479.825
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-nitroso-desmethyl-demeclocycline

SMILES

CN(N=O)[C@H]1[C@@H]2C[C@@H]3[C@H](O)C4=C(C(O)=CC=C4Cl)C(=O)C3=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O

InChI

InChIKey=FALWHPCOXXOWAR-RPDKKYITSA-N
InChI=1S/C20H18ClN3O9/c1-24(23-33)13-6-4-5-9(15(27)11-8(25)3-2-7(21)10(11)14(5)26)17(29)20(6,32)18(30)12(16(13)28)19(22)31/h2-3,5-6,13-14,25-26,28-29,32H,4H2,1H3,(H2,22,31)/t5-,6-,13-,14-,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H18ClN3O9
Molecular Weight 479.825
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 18:29:33 GMT 2025
Edited
by admin
on Wed Apr 02 18:29:33 GMT 2025
Record UNII
X8RHM8W8T4
Record Status Validated (UNII)
Record Version
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Name Type Language
N-nitroso-desmethyl-demeclocycline
Preferred Name English
Code System Code Type Description
FDA UNII
X8RHM8W8T4
Created by admin on Wed Apr 02 18:29:33 GMT 2025 , Edited by admin on Wed Apr 02 18:29:33 GMT 2025
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