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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H22ClFN2O8
Molecular Weight 508.881
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RO-7-2750 GLUCURONIDE

SMILES

O[C@@H]1[C@@H](O)[C@H](OCCN2C3=C(C=C(Cl)C=C3)C(=NCC2=O)C4=C(F)C=CC=C4)O[C@@H]([C@H]1O)C(O)=O

InChI

InChIKey=UTAZGQSBKFIKFR-KHYDEXNFSA-N
InChI=1S/C23H22ClFN2O8/c24-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)25)26-10-16(28)27(15)7-8-34-23-20(31)18(29)19(30)21(35-23)22(32)33/h1-6,9,18-21,23,29-31H,7-8,10H2,(H,32,33)/t18-,19-,20+,21-,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H22ClFN2O8
Molecular Weight 508.881
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 09:05:49 GMT 2023
Edited
by admin
on Sat Dec 16 09:05:49 GMT 2023
Record UNII
Q7R5P88QTH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RO-7-2750 GLUCURONIDE
Common Name English
HYDROXYETHYLFURAZEPAM GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-(7-CHLORO-5-(2-FLUOROPHENYL)-2,3-DIHYDRO-2-OXO-1H-1,4-BENZODIAZEPIN-1-YL)ETHYL
Systematic Name English
Code System Code Type Description
FDA UNII
Q7R5P88QTH
Created by admin on Sat Dec 16 09:05:49 GMT 2023 , Edited by admin on Sat Dec 16 09:05:49 GMT 2023
PRIMARY
CAS
17617-57-1
Created by admin on Sat Dec 16 09:05:49 GMT 2023 , Edited by admin on Sat Dec 16 09:05:49 GMT 2023
PRIMARY
PUBCHEM
14324838
Created by admin on Sat Dec 16 09:05:49 GMT 2023 , Edited by admin on Sat Dec 16 09:05:49 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE