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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H28N2O8
Molecular Weight 448.4663
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-HYDROXY YM-208876 GLUCURONIDE

SMILES

NC1=CC=C(CCNC[C@H](O)C2=CC=CC=C2)C=C1O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O

InChI

InChIKey=RTUDXGJPMYKMKG-CQCZEFQHSA-N
InChI=1S/C22H28N2O8/c23-14-7-6-12(8-9-24-11-15(25)13-4-2-1-3-5-13)10-16(14)31-22-19(28)17(26)18(27)20(32-22)21(29)30/h1-7,10,15,17-20,22,24-28H,8-9,11,23H2,(H,29,30)/t15-,17-,18-,19+,20-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H28N2O8
Molecular Weight 448.4663
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 09:38:59 UTC 2023
Edited
by admin
on Sat Dec 16 09:38:59 UTC 2023
Record UNII
COV0W5ZLZF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-HYDROXY YM-208876 GLUCURONIDE
Common Name English
MIRABEGRON (M17)
Common Name English
(2S,3S,4S,5R,6S)-6-(2-AMINO-5-(2-(((R)-2-HYDROXY-2-PHENYLETHYL)AMINO)ETHYL)PHENOXY)-3,4,5-TRIHYDROXYTETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
91827072
Created by admin on Sat Dec 16 09:38:59 UTC 2023 , Edited by admin on Sat Dec 16 09:38:59 UTC 2023
PRIMARY
FDA UNII
COV0W5ZLZF
Created by admin on Sat Dec 16 09:38:59 UTC 2023 , Edited by admin on Sat Dec 16 09:38:59 UTC 2023
PRIMARY
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