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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H30N4O10S
Molecular Weight 614.624
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of YM-538858

SMILES

NC1=NC(CC(=O)NC2=CC=C(CCN(CC(=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=KGQGNAYBJXXZGU-AMWBNRJOSA-N
InChI=1S/C28H30N4O10S/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/h1-9,14,21-24,26,35-37H,10-13H2,(H2,29,31)(H,30,34)(H,38,39)/t21-,22-,23+,24-,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H30N4O10S
Molecular Weight 614.624
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:26:49 GMT 2023
Edited
by admin
on Sat Dec 16 09:26:49 GMT 2023
Record UNII
9B7762GTP4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
YM-538858
Common Name English
KETO MIRABEGRON N-CARBAMOYLGLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANURONIC ACID, 1-(N-(2-(4-((2-(2-AMINO-4-THIAZOLYL)ACETYL)AMINO)PHENYL)ETHYL)-N-(2-OXO-2-PHENYLETHYL)CARBAMATE)
Systematic Name English
MIRABEGRON (M12)
Common Name English
Code System Code Type Description
PUBCHEM
91810673
Created by admin on Sat Dec 16 09:26:49 GMT 2023 , Edited by admin on Sat Dec 16 09:26:49 GMT 2023
PRIMARY
CAS
1365244-66-1
Created by admin on Sat Dec 16 09:26:49 GMT 2023 , Edited by admin on Sat Dec 16 09:26:49 GMT 2023
PRIMARY
FDA UNII
9B7762GTP4
Created by admin on Sat Dec 16 09:26:49 GMT 2023 , Edited by admin on Sat Dec 16 09:26:49 GMT 2023
PRIMARY
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