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Details

Stereochemistry ACHIRAL
Molecular Formula C23H18ClF2N3O3S
Molecular Weight 488.923
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Vemurafenib C-11

SMILES

CCCS(=O)(=O)NC1=C(F)C(=C(F)C=C1)[11C](=O)C2=CNC3=NC=C(C=C23)C4=CC=C(Cl)C=C4

InChI

InChIKey=GPXBXXGIAQBQNI-KVTPGWOSSA-N
InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)/i22-1

HIDE SMILES / InChI

Molecular Formula C23H18ClF2N3O3S
Molecular Weight 488.923
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 Sat Dec 16 19:19:36 UTC 2023
Edited
by admin
on Sat Dec 16 19:19:36 UTC 2023
Record UNII
K5SYG5875K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Vemurafenib C-11
Common Name English
[11C]Vemurafenib
Common Name English
Code System Code Type Description
FDA UNII
K5SYG5875K
Created by admin on Sat Dec 16 19:19:36 UTC 2023 , Edited by admin on Sat Dec 16 19:19:36 UTC 2023
PRIMARY
PUBCHEM
166177249
Created by admin on Sat Dec 16 19:19:36 UTC 2023 , Edited by admin on Sat Dec 16 19:19:36 UTC 2023
PRIMARY
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