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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H32N4O9S
Molecular Weight 588.629
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of YM-9636324

SMILES

NC1=NC(CC(=O)NC2=CC=C(CCN(C[C@H](O)C3=CC=CC=C3)O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C=C2)=CS1

InChI

InChIKey=PPZPAYKGJINYBZ-FBZAMZGSSA-N
InChI=1S/C27H32N4O9S/c28-27-30-18(14-41-27)12-20(33)29-17-8-6-15(7-9-17)10-11-31(13-19(32)16-4-2-1-3-5-16)40-26-23(36)21(34)22(35)24(39-26)25(37)38/h1-9,14,19,21-24,26,32,34-36H,10-13H2,(H2,28,30)(H,29,33)(H,37,38)/t19-,21-,22-,23+,24-,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H32N4O9S
Molecular Weight 588.629
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 15:02:30 UTC 2023
Edited
by admin
on Thu Jul 06 15:02:30 UTC 2023
Record UNII
RJ1WP0LG74
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
YM-9636324
Common Name English
(2S,3S,4S,5R,6S)-6-(((4-(2-(2-AMINOTHIAZOL-4-YL)ACETAMIDO)PHENETHYL)((R)-2-HYDROXY-2-PHENYLETHYL)AMINO)OXY)-3,4,5-TRIHYDROXYTETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID
Systematic Name English
MIRABEGRON (M15)
Common Name English
Code System Code Type Description
PUBCHEM
91810676
Created by admin on Thu Jul 06 15:02:30 UTC 2023 , Edited by admin on Thu Jul 06 15:02:30 UTC 2023
PRIMARY
FDA UNII
RJ1WP0LG74
Created by admin on Thu Jul 06 15:02:30 UTC 2023 , Edited by admin on Thu Jul 06 15:02:30 UTC 2023
PRIMARY
CAS
1365244-69-4
Created by admin on Thu Jul 06 15:02:30 UTC 2023 , Edited by admin on Thu Jul 06 15:02:30 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
CYP 3A4 is the primary responsible isoenzyme for in vitro hepatic oxidative metabolism of mirabegron, with a minor role of CYP2D6