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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 N-GLUCURONIDE

SMILES

O[C@@H](CNCCC1=CC=C(NC(=O)CC2=CSC(N[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=N2)C=C1)C4=CC=CC=C4

InChI

InChIKey=YBQVFLMYXJIJCA-ZEJZDXSBSA-N
InChI=1S/C27H32N4O8S/c32-19(16-4-2-1-3-5-16)13-28-11-10-15-6-8-17(9-7-15)29-20(33)12-18-14-40-27(30-18)31-25-23(36)21(34)22(35)24(39-25)26(37)38/h1-9,14,19,21-25,28,32,34-36H,10-13H2,(H,29,33)(H,30,31)(H,37,38)/t19-,21-,22-,23+,24-,25+/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 Sat Dec 16 09:26:48 GMT 2023
Edited
by admin
on Sat Dec 16 09:26:48 GMT 2023
Record UNII
8Y8XEI3LHC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MIRABEGRON N-GLUCURONIDE
Common Name English
MIRABEGRON (M14)
Common Name English
.BETA.-D-GLUCOPYRANURONIC ACID, 1-DEOXY-1-((4-(2-((4-(2-(((2R)-2-HYDROXY-2-PHENYLETHYL)AMINO)ETHYL)PHENYL)AMINO)-2-OXOETHYL)-2-THIAZOLYL)AMINO)-
Systematic Name English
YM-554028
Code English
Code System Code Type Description
PUBCHEM
91810675
Created by admin on Sat Dec 16 09:26:48 GMT 2023 , Edited by admin on Sat Dec 16 09:26:48 GMT 2023
PRIMARY
CAS
1365244-68-3
Created by admin on Sat Dec 16 09:26:48 GMT 2023 , Edited by admin on Sat Dec 16 09:26:48 GMT 2023
PRIMARY
FDA UNII
8Y8XEI3LHC
Created by admin on Sat Dec 16 09:26:48 GMT 2023 , Edited by admin on Sat Dec 16 09:26:48 GMT 2023
PRIMARY
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