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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H32N4O10S
Molecular Weight 616.639
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MIRABEGRON N-CARBAMOYLGLUCURONIDE

SMILES

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

InChI

InChIKey=IJLOKJZIHTWZDZ-FBZAMZGSSA-N
InChI=1S/C28H32N4O10S/c29-27-31-18(14-43-27)12-20(34)30-17-8-6-15(7-9-17)10-11-32(13-19(33)16-4-2-1-3-5-16)28(40)42-26-23(37)21(35)22(36)24(41-26)25(38)39/h1-9,14,19,21-24,26,33,35-37H,10-13H2,(H2,29,31)(H,30,34)(H,38,39)/t19-,21-,22-,23+,24-,26-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
MIRABEGRON N-CARBAMOYLGLUCURONIDE
Common Name English
YM-538859
Code English
MIRABEGRON (M13)
Common Name English
.BETA.-D-GLUCOPYRANURONIC ACID, 1-(N-(2-(4-((2-(2-AMINO-4-THIAZOLYL)ACETYL)AMINO)PHENYL)ETHYL)-N-((2R)-2-HYDROXY-2-PHENYLETHYL)CARBAMATE)
Systematic Name English
Code System Code Type Description
CAS
1365244-67-2
Created by admin on Sat Dec 16 09:33:10 GMT 2023 , Edited by admin on Sat Dec 16 09:33:10 GMT 2023
PRIMARY
PUBCHEM
91810674
Created by admin on Sat Dec 16 09:33:10 GMT 2023 , Edited by admin on Sat Dec 16 09:33:10 GMT 2023
PRIMARY
FDA UNII
Q9302UF4GX
Created by admin on Sat Dec 16 09:33:10 GMT 2023 , Edited by admin on Sat Dec 16 09:33:10 GMT 2023
PRIMARY