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Details

Stereochemistry ACHIRAL
Molecular Formula C18H13ClFN3.H2O4S
Molecular Weight 423.846
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BASIMGLURANT SULFATE

SMILES

OS(O)(=O)=O.CC1=NC(C#CC2=CC(Cl)=NC=C2)=C(C)N1C3=CC=C(F)C=C3

InChI

InChIKey=RPRPXJNEEIIWAL-UHFFFAOYSA-N
InChI=1S/C18H13ClFN3.H2O4S/c1-12-17(8-3-14-9-10-21-18(19)11-14)22-13(2)23(12)16-6-4-15(20)5-7-16;1-5(2,3)4/h4-7,9-11H,1-2H3;(H2,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula C18H13ClFN3
Molecular Weight 325.767
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula H2O4S
Molecular Weight 98.078
Charge 0
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 17:33:45 UTC 2023
Edited
by admin
on Fri Dec 15 17:33:45 UTC 2023
Record UNII
MQ04IL403Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BASIMGLURANT SULFATE
Common Name English
RO-4917523 SULPHATE
Common Name English
NOE-101 SULFATE
Code English
PYRIDINE, 2-CHLORO-4-(2-(1-(4-FLUOROPHENYL)-2,5-DIMETHYL-1H-IMIDAZOL-4-YL)ETHYNYL)-, SULFATE (1:1)
Systematic Name English
RO4917523 SULPHATE
Common Name English
Code System Code Type Description
PUBCHEM
131634700
Created by admin on Fri Dec 15 17:33:45 UTC 2023 , Edited by admin on Fri Dec 15 17:33:45 UTC 2023
PRIMARY
FDA UNII
MQ04IL403Q
Created by admin on Fri Dec 15 17:33:45 UTC 2023 , Edited by admin on Fri Dec 15 17:33:45 UTC 2023
PRIMARY
CAS
1034442-21-1
Created by admin on Fri Dec 15 17:33:45 UTC 2023 , Edited by admin on Fri Dec 15 17:33:45 UTC 2023
PRIMARY
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