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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H32N4O8S
Molecular Weight 572.63
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MIRABEGRON O-GLUCURONIDE

SMILES

NC1=NC(CC(=O)NC2=CC=C(CCNC[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C4=CC=CC=C4)C=C2)=CS1

InChI

InChIKey=SKLQDOWMJNKLOR-JBWRIQTRSA-N
InChI=1S/C27H32N4O8S/c28-27-31-18(14-40-27)12-20(32)30-17-8-6-15(7-9-17)10-11-29-13-19(16-4-2-1-3-5-16)38-26-23(35)21(33)22(34)24(39-26)25(36)37/h1-9,14,19,21-24,26,29,33-35H,10-13H2,(H2,28,31)(H,30,32)(H,36,37)/t19-,21-,22-,23+,24-,26+/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H32N4O8S
Molecular Weight 572.63
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 14:55:50 UTC 2023
Edited
by admin
on Thu Jul 06 14:55:50 UTC 2023
Record UNII
GR82L4OOM4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MIRABEGRON O-GLUCURONIDE
Common Name English
YM-382984
Code English
MIRABEGRON (M11)
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (1R)-2-((2-(4-((2-(2-AMINO-4-THIAZOLYL)ACETYL)AMINO)PHENYL)ETHYL)AMINO)-1-PHENYLETHYL
Systematic Name English
Code System Code Type Description
FDA UNII
GR82L4OOM4
Created by admin on Thu Jul 06 14:55:50 UTC 2023 , Edited by admin on Thu Jul 06 14:55:50 UTC 2023
PRIMARY
CAS
1365244-65-0
Created by admin on Thu Jul 06 14:55:50 UTC 2023 , Edited by admin on Thu Jul 06 14:55:50 UTC 2023
PRIMARY
PUBCHEM
91810672
Created by admin on Thu Jul 06 14:55:50 UTC 2023 , Edited by admin on Thu Jul 06 14:55:50 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE
MAJOR
PLASMA; URINE