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Details

Stereochemistry ACHIRAL
Molecular Formula C14H13NO6S
Molecular Weight 323.321
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TOLCAPONE 5-AMINO-3-O-SULFATE

SMILES

CC1=CC=C(C=C1)C(=O)C2=CC(N)=C(O)C(OS(O)(=O)=O)=C2

InChI

InChIKey=XXEISDBRYZQIMM-UHFFFAOYSA-N
InChI=1S/C14H13NO6S/c1-8-2-4-9(5-3-8)13(16)10-6-11(15)14(17)12(7-10)21-22(18,19)20/h2-7,17H,15H2,1H3,(H,18,19,20)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
TOLCAPONE 5-AMINO-3-O-SULFATE
Common Name English
METHANONE, (3-AMINO-4-HYDROXY-5-(SULFOOXY)PHENYL)(4-METHYLPHENYL)-
Systematic Name English
5-AMINO TOLCAPONE-3-O-SULPHATE
Common Name English
Code System Code Type Description
FDA UNII
0Y220T70EG
Created by admin on Sat Dec 16 09:34:05 GMT 2023 , Edited by admin on Sat Dec 16 09:34:05 GMT 2023
PRIMARY
CAS
254902-29-9
Created by admin on Sat Dec 16 09:34:05 GMT 2023 , Edited by admin on Sat Dec 16 09:34:05 GMT 2023
PRIMARY
PUBCHEM
91800236
Created by admin on Sat Dec 16 09:34:05 GMT 2023 , Edited by admin on Sat Dec 16 09:34:05 GMT 2023
PRIMARY
NIH
NCATS
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