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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H18ClNO7.2Na
Molecular Weight 465.792
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CL-316243

SMILES

[Na+].[Na+].C[C@H](CC1=CC=C2OC(OC2=C1)(C([O-])=O)C([O-])=O)NC[C@H](O)C3=CC(Cl)=CC=C3

InChI

InChIKey=FUZBPOHHSBDTJQ-CFOQQKEYSA-L
InChI=1S/C20H20ClNO7.2Na/c1-11(22-10-15(23)13-3-2-4-14(21)9-13)7-12-5-6-16-17(8-12)29-20(28-16,18(24)25)19(26)27;;/h2-6,8-9,11,15,22-23H,7,10H2,1H3,(H,24,25)(H,26,27);;/q;2*+1/p-2/t11-,15+;;/m1../s1

HIDE SMILES / InChI

Molecular Formula C20H18ClNO7
Molecular Weight 419.812
Charge -2
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 2 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:45:09 UTC 2023
Edited
by admin
on Fri Dec 15 15:45:09 UTC 2023
Record UNII
CF9MRO9QWW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CL-316243
Common Name English
CL-316,243
Code English
HP-186
Code English
5-(2-((2-(3-CHLOROPHENYL)-2-HYDROXYETYL)AMINO)-PROPYL)-1,3-BENZODIOXOLE-2,2-DICARBOXYLIC ACID DISODIUM,(R-(R*,R*))
Common Name English
Code System Code Type Description
PUBCHEM
5312115
Created by admin on Fri Dec 15 15:45:09 UTC 2023 , Edited by admin on Fri Dec 15 15:45:09 UTC 2023
PRIMARY
FDA UNII
CF9MRO9QWW
Created by admin on Fri Dec 15 15:45:09 UTC 2023 , Edited by admin on Fri Dec 15 15:45:09 UTC 2023
PRIMARY
EPA CompTox
DTXSID6041004
Created by admin on Fri Dec 15 15:45:09 UTC 2023 , Edited by admin on Fri Dec 15 15:45:09 UTC 2023
PRIMARY
CAS
138908-40-4
Created by admin on Fri Dec 15 15:45:09 UTC 2023 , Edited by admin on Fri Dec 15 15:45:09 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
SHORT-ACTING
Related Record Type Details
ACTIVE MOIETY