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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H37N5O8
Molecular Weight 571.6221
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

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

SMILES

CN(C)C1=C2C[C@H]3C[C@H]4[C@H](N(C)N=O)C(O)=C(C(N)=O)C(=O)[C@@]4(O)C(O)=C3C(=O)C2=C(O)C(CNCC(C)(C)C)=C1

InChI

InChIKey=REYXTODGRIAIIA-ZSNWDDTMSA-N
InChI=1S/C28H37N5O8/c1-27(2,3)11-30-10-13-9-16(32(4)5)14-7-12-8-15-20(33(6)31-41)23(36)19(26(29)39)25(38)28(15,40)24(37)17(12)22(35)18(14)21(13)34/h9,12,15,20,30,34,36-37,40H,7-8,10-11H2,1-6H3,(H2,29,39)/t12-,15-,20-,28-/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H37N5O8
Molecular Weight 571.6221
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 18:46:33 GMT 2025
Edited
by admin
on Wed Apr 02 18:46:33 GMT 2025
Record UNII
ZM8KJZ59T2
Record Status Validated (UNII)
Record Version
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Name Type Language
N-nitroso-desmethyl-omadacycline-2
Preferred Name English
Code System Code Type Description
FDA UNII
ZM8KJZ59T2
Created by admin on Wed Apr 02 18:46:33 GMT 2025 , Edited by admin on Wed Apr 02 18:46:33 GMT 2025
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