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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H23N5O3S
Molecular Weight 425.504
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-nitroso-mirabegron

SMILES

NC1=NC(CC(=O)NC2=CC=C(CCN(C[C@H](O)C3=CC=CC=C3)N=O)C=C2)=CS1

InChI

InChIKey=AGISAJMMXIVCPC-IBGZPJMESA-N
InChI=1S/C21H23N5O3S/c22-21-24-18(14-30-21)12-20(28)23-17-8-6-15(7-9-17)10-11-26(25-29)13-19(27)16-4-2-1-3-5-16/h1-9,14,19,27H,10-13H2,(H2,22,24)(H,23,28)/t19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H23N5O3S
Molecular Weight 425.504
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 18:20:05 GMT 2025
Edited
by admin
on Wed Apr 02 18:20:05 GMT 2025
Record UNII
D5ZFB228YH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-nitroso-mirabegron
Preferred Name English
Code System Code Type Description
FDA UNII
D5ZFB228YH
Created by admin on Wed Apr 02 18:20:05 GMT 2025 , Edited by admin on Wed Apr 02 18:20:05 GMT 2025
PRIMARY
PUBCHEM
169432921
Created by admin on Wed Apr 02 18:20:05 GMT 2025 , Edited by admin on Wed Apr 02 18:20:05 GMT 2025
PRIMARY
CAS
3017159-61-1
Created by admin on Wed Apr 02 18:20:05 GMT 2025 , Edited by admin on Wed Apr 02 18:20:05 GMT 2025
PRIMARY
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