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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H18ClNO9
Molecular Weight 391.758
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of R-289876

SMILES

[H][C@@]2(O[C@H](COC(N)=O)C1=CC=CC=C1Cl)O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O

InChI

InChIKey=RKWAMNXFHLRQGF-CBIHJVFNSA-N
InChI=1S/C15H18ClNO9/c16-7-4-2-1-3-6(7)8(5-24-15(17)23)25-14-11(20)9(18)10(19)12(26-14)13(21)22/h1-4,8-12,14,18-20H,5H2,(H2,17,23)(H,21,22)/t8-,9+,10+,11-,12+,14-/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H18ClNO9
Molecular Weight 391.758
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 16:46:18 UTC 2023
Edited
by admin
on Sat Dec 16 16:46:18 UTC 2023
Record UNII
A1SO7FM0UT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
R-289876
Code English
(1S)-2-((AMINOCARBONYL)OXY)-1-(2-CHLOROPHENYL)ETHYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
R289876
Code English
RWJ-333369 METABOLITE M21
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (1S)-2-((AMINOCARBONYL)OXY)-1-(2-CHLOROPHENYL)ETHYL
Systematic Name English
Code System Code Type Description
CAS
940279-82-3
Created by admin on Sat Dec 16 16:46:18 UTC 2023 , Edited by admin on Sat Dec 16 16:46:18 UTC 2023
PRIMARY
FDA UNII
A1SO7FM0UT
Created by admin on Sat Dec 16 16:46:18 UTC 2023 , Edited by admin on Sat Dec 16 16:46:18 UTC 2023
PRIMARY
EPA CompTox
DTXSID00747302
Created by admin on Sat Dec 16 16:46:18 UTC 2023 , Edited by admin on Sat Dec 16 16:46:18 UTC 2023
PRIMARY
PUBCHEM
71314564
Created by admin on Sat Dec 16 16:46:18 UTC 2023 , Edited by admin on Sat Dec 16 16:46:18 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MAJOR
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MINOR
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