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Details

Stereochemistry ACHIRAL
Molecular Formula C21H25NO8S
Molecular Weight 451.49
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of RIGOSERTIB

SMILES

COC1=CC(OC)=C(\C=C\S(=O)(=O)CC2=CC=C(OC)C(NCC(O)=O)=C2)C(OC)=C1

InChI

InChIKey=OWBFCJROIKNMGD-BQYQJAHWSA-N
InChI=1S/C21H25NO8S/c1-27-15-10-19(29-3)16(20(11-15)30-4)7-8-31(25,26)13-14-5-6-18(28-2)17(9-14)22-12-21(23)24/h5-11,22H,12-13H2,1-4H3,(H,23,24)/b8-7+

HIDE SMILES / InChI

Molecular Formula C21H25NO8S
Molecular Weight 451.49
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 01:55:49 UTC 2023
Edited
by admin
on Sat Dec 16 01:55:49 UTC 2023
Record UNII
67DOW7F9GL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RIGOSERTIB
INN   USAN   WHO-DD  
INN   USAN  
Official Name English
rigosertib [INN]
Common Name English
Rigosertib [WHO-DD]
Common Name English
N-[2-Methoxy-5-({[(1E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine
Systematic Name English
ON01910
Code English
RIGOSERTIB [USAN]
Common Name English
ON-01910
Code English
Classification Tree Code System Code
FDA ORPHAN DRUG 333611
Created by admin on Sat Dec 16 01:55:49 UTC 2023 , Edited by admin on Sat Dec 16 01:55:49 UTC 2023
NCI_THESAURUS C1404
Created by admin on Sat Dec 16 01:55:49 UTC 2023 , Edited by admin on Sat Dec 16 01:55:49 UTC 2023
FDA ORPHAN DRUG 289409
Created by admin on Sat Dec 16 01:55:49 UTC 2023 , Edited by admin on Sat Dec 16 01:55:49 UTC 2023
FDA ORPHAN DRUG 366412
Created by admin on Sat Dec 16 01:55:49 UTC 2023 , Edited by admin on Sat Dec 16 01:55:49 UTC 2023
Code System Code Type Description
CAS
592542-59-1
Created by admin on Sat Dec 16 01:55:49 UTC 2023 , Edited by admin on Sat Dec 16 01:55:49 UTC 2023
PRIMARY
PUBCHEM
6918736
Created by admin on Sat Dec 16 01:55:49 UTC 2023 , Edited by admin on Sat Dec 16 01:55:49 UTC 2023
PRIMARY
WIKIPEDIA
RIGOSERTIB
Created by admin on Sat Dec 16 01:55:49 UTC 2023 , Edited by admin on Sat Dec 16 01:55:49 UTC 2023
PRIMARY
INN
9516
Created by admin on Sat Dec 16 01:55:49 UTC 2023 , Edited by admin on Sat Dec 16 01:55:49 UTC 2023
PRIMARY
EPA CompTox
DTXSID30207984
Created by admin on Sat Dec 16 01:55:49 UTC 2023 , Edited by admin on Sat Dec 16 01:55:49 UTC 2023
PRIMARY
USAN
XX-89
Created by admin on Sat Dec 16 01:55:49 UTC 2023 , Edited by admin on Sat Dec 16 01:55:49 UTC 2023
PRIMARY
EVMPD
SUB36359
Created by admin on Sat Dec 16 01:55:49 UTC 2023 , Edited by admin on Sat Dec 16 01:55:49 UTC 2023
PRIMARY
FDA UNII
67DOW7F9GL
Created by admin on Sat Dec 16 01:55:49 UTC 2023 , Edited by admin on Sat Dec 16 01:55:49 UTC 2023
PRIMARY
SMS_ID
100000128814
Created by admin on Sat Dec 16 01:55:49 UTC 2023 , Edited by admin on Sat Dec 16 01:55:49 UTC 2023
PRIMARY
CHEBI
145417
Created by admin on Sat Dec 16 01:55:49 UTC 2023 , Edited by admin on Sat Dec 16 01:55:49 UTC 2023
PRIMARY
DRUG BANK
DB12146
Created by admin on Sat Dec 16 01:55:49 UTC 2023 , Edited by admin on Sat Dec 16 01:55:49 UTC 2023
PRIMARY
NCI_THESAURUS
C152216
Created by admin on Sat Dec 16 01:55:49 UTC 2023 , Edited by admin on Sat Dec 16 01:55:49 UTC 2023
PRIMARY
ChEMBL
CHEMBL1241855
Created by admin on Sat Dec 16 01:55:49 UTC 2023 , Edited by admin on Sat Dec 16 01:55:49 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
TARGET -> INHIBITOR
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY