U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C16H13ClO4S
Molecular Weight 336.79
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of RECILISIB

SMILES

OC(=O)C1=CC=C(\C=C\S(=O)(=O)CC2=CC=C(Cl)C=C2)C=C1

InChI

InChIKey=KBEKQQJUNVQLDZ-MDZDMXLPSA-N
InChI=1S/C16H13ClO4S/c17-15-7-3-13(4-8-15)11-22(20,21)10-9-12-1-5-14(6-2-12)16(18)19/h1-10H,11H2,(H,18,19)/b10-9+

HIDE SMILES / InChI

Molecular Formula C16H13ClO4S
Molecular Weight 336.79
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 03:00:04 UTC 2023
Edited
by admin
on Sat Dec 16 03:00:04 UTC 2023
Record UNII
F5V4K11SYV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RECILISIB
INN   USAN   WHO-DD  
USAN   INN  
Official Name English
recilisib [INN]
Common Name English
BENZOIC ACID, 4-((1E)-2-(((4-CHLOROPHENYL)METHYL)SULFONYL)ETHENYL)-
Common Name English
4-[(1E)-2-[[(4-Chlorophenyl)methyl]sulfonyl]ethenyl]benzoic acid
Systematic Name English
RECILISIB [USAN]
Common Name English
ON01210
Code English
ON-01210
Code English
Recilisib [WHO-DD]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C797
Created by admin on Sat Dec 16 03:00:04 UTC 2023 , Edited by admin on Sat Dec 16 03:00:04 UTC 2023
Code System Code Type Description
ChEMBL
CHEMBL2219421
Created by admin on Sat Dec 16 03:00:04 UTC 2023 , Edited by admin on Sat Dec 16 03:00:04 UTC 2023
PRIMARY
CAS
334969-03-8
Created by admin on Sat Dec 16 03:00:04 UTC 2023 , Edited by admin on Sat Dec 16 03:00:04 UTC 2023
PRIMARY
NCI_THESAURUS
C152168
Created by admin on Sat Dec 16 03:00:04 UTC 2023 , Edited by admin on Sat Dec 16 03:00:04 UTC 2023
PRIMARY
FDA UNII
F5V4K11SYV
Created by admin on Sat Dec 16 03:00:04 UTC 2023 , Edited by admin on Sat Dec 16 03:00:04 UTC 2023
PRIMARY
INN
9681
Created by admin on Sat Dec 16 03:00:04 UTC 2023 , Edited by admin on Sat Dec 16 03:00:04 UTC 2023
PRIMARY
USAN
ZZ-32
Created by admin on Sat Dec 16 03:00:04 UTC 2023 , Edited by admin on Sat Dec 16 03:00:04 UTC 2023
PRIMARY
EPA CompTox
DTXSID70187130
Created by admin on Sat Dec 16 03:00:04 UTC 2023 , Edited by admin on Sat Dec 16 03:00:04 UTC 2023
PRIMARY
PUBCHEM
9884220
Created by admin on Sat Dec 16 03:00:04 UTC 2023 , Edited by admin on Sat Dec 16 03:00:04 UTC 2023
PRIMARY
SMS_ID
300000034399
Created by admin on Sat Dec 16 03:00:04 UTC 2023 , Edited by admin on Sat Dec 16 03:00:04 UTC 2023
PRIMARY
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SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY