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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H28FN5O9
Molecular Weight 573.527
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

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

SMILES

CN(N=O)[C@H]1[C@@H]2C[C@@H]3CC4=C(F)C=C(NC(=O)CN5CCCC5)C(O)=C4C(=O)C3=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O

InChI

InChIKey=RLKMDCYGYORVKF-NXHKEXIGSA-N
InChI=1S/C26H28FN5O9/c1-31(30-41)19-12-7-10-6-11-13(27)8-14(29-15(33)9-32-4-2-3-5-32)20(34)17(11)21(35)16(10)23(37)26(12,40)24(38)18(22(19)36)25(28)39/h8,10,12,19,34,36-37,40H,2-7,9H2,1H3,(H2,28,39)(H,29,33)/t10-,12-,19-,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H28FN5O9
Molecular Weight 573.527
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 18:20:04 GMT 2025
Edited
by admin
on Wed Apr 02 18:20:04 GMT 2025
Record UNII
4NLF9UF5V9
Record Status Validated (UNII)
Record Version
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Name Type Language
N-nitroso-desmethyl-eravacycline
Preferred Name English
Code System Code Type Description
FDA UNII
4NLF9UF5V9
Created by admin on Wed Apr 02 18:20:04 GMT 2025 , Edited by admin on Wed Apr 02 18:20:04 GMT 2025
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