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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H32N2O10
Molecular Weight 520.529
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FORMOTEROL .BETA.-D-GLUCURONIDE, (S,S)-

SMILES

COC1=CC=C(C[C@H](C)NC[C@@H](O)C2=CC(NC=O)=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C2)C=C1

InChI

InChIKey=CHNNYXWDVZXHPK-LQWBSROASA-N
InChI=1S/C25H32N2O10/c1-13(9-14-3-6-16(35-2)7-4-14)26-11-18(29)15-5-8-19(17(10-15)27-12-28)36-25-22(32)20(30)21(31)23(37-25)24(33)34/h3-8,10,12-13,18,20-23,25-26,29-32H,9,11H2,1-2H3,(H,27,28)(H,33,34)/t13-,18+,20-,21-,22+,23-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H32N2O10
Molecular Weight 520.529
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:18:02 GMT 2023
Edited
by admin
on Sat Dec 16 15:18:02 GMT 2023
Record UNII
JB6NF5RF2F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FORMOTEROL .BETA.-D-GLUCURONIDE, (S,S)-
Common Name English
(S,S)-FORMOTEROL GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-(FORMYLAMINO)-4-((1S)-1-HYDROXY-2-(((1S)-2-(4-METHOXYPHENYL)-1-METHYLETHYL)AMINO)ETHYL)PHENYL
Systematic Name English
FORMOTEROL METABOLITE FG1, (S,S)-
Common Name English
Code System Code Type Description
PUBCHEM
135390976
Created by admin on Sat Dec 16 15:18:02 GMT 2023 , Edited by admin on Sat Dec 16 15:18:02 GMT 2023
PRIMARY
FDA UNII
JB6NF5RF2F
Created by admin on Sat Dec 16 15:18:02 GMT 2023 , Edited by admin on Sat Dec 16 15:18:02 GMT 2023
PRIMARY
CAS
615551-58-1
Created by admin on Sat Dec 16 15:18:02 GMT 2023 , Edited by admin on Sat Dec 16 15:18:02 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE