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Details

Stereochemistry ACHIRAL
Molecular Formula C21H24NO8S.Na
Molecular Weight 473.472
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of RIGOSERTIB SODIUM

SMILES

[Na+].COC1=CC(OC)=C(\C=C\S(=O)(=O)CC2=CC=C(OC)C(NCC([O-])=O)=C2)C(OC)=C1

InChI

InChIKey=VLQLUZFVFXYXQE-USRGLUTNSA-M
InChI=1S/C21H25NO8S.Na/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);/q;+1/p-1/b8-7+;

HIDE SMILES / InChI

Molecular Formula C21H24NO8S
Molecular Weight 450.482
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
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 15:56:22 UTC 2023
Edited
by admin
on Fri Dec 15 15:56:22 UTC 2023
Record UNII
406FL5G00V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RIGOSERTIB SODIUM
USAN   WHO-DD  
USAN  
Official Name English
SYB C-1101
Code English
ON01910 SODIUM
Code English
RIGOSERTIB SODIUM [JAN]
Common Name English
ON 01910.NA
Code English
RIGOSERTIB SODIUM [USAN]
Common Name English
ON-01910.NA
Code English
ESTYBON
Brand Name English
Rigosertib sodium [WHO-DD]
Common Name English
ON-01910 SODIUM
Code English
GLYCINE, N-(2-METHOXY-5-((((1E)-2-(2,4,6-TRIMETHOXYPHENYL)ETHENYL)SULFONYL)METHYL)PHENYL)-, SODIUM SALT (1:1)
Common Name English
ON 01910 SODIUM
Code English
Classification Tree Code System Code
EU-Orphan Drug EU/3/12/987
Created by admin on Fri Dec 15 15:56:22 UTC 2023 , Edited by admin on Fri Dec 15 15:56:22 UTC 2023
NCI_THESAURUS C129825
Created by admin on Fri Dec 15 15:56:22 UTC 2023 , Edited by admin on Fri Dec 15 15:56:22 UTC 2023
NCI_THESAURUS C61074
Created by admin on Fri Dec 15 15:56:22 UTC 2023 , Edited by admin on Fri Dec 15 15:56:22 UTC 2023
Code System Code Type Description
DRUG BANK
DBSALT002144
Created by admin on Fri Dec 15 15:56:22 UTC 2023 , Edited by admin on Fri Dec 15 15:56:22 UTC 2023
PRIMARY
CAS
592542-60-4
Created by admin on Fri Dec 15 15:56:22 UTC 2023 , Edited by admin on Fri Dec 15 15:56:22 UTC 2023
PRIMARY
PUBCHEM
23696523
Created by admin on Fri Dec 15 15:56:22 UTC 2023 , Edited by admin on Fri Dec 15 15:56:22 UTC 2023
PRIMARY
USAN
XX-90
Created by admin on Fri Dec 15 15:56:22 UTC 2023 , Edited by admin on Fri Dec 15 15:56:22 UTC 2023
PRIMARY
EVMPD
SUB33852
Created by admin on Fri Dec 15 15:56:22 UTC 2023 , Edited by admin on Fri Dec 15 15:56:22 UTC 2023
ALTERNATIVE
EPA CompTox
DTXSID10974682
Created by admin on Fri Dec 15 15:56:22 UTC 2023 , Edited by admin on Fri Dec 15 15:56:22 UTC 2023
PRIMARY
ChEMBL
CHEMBL1241855
Created by admin on Fri Dec 15 15:56:22 UTC 2023 , Edited by admin on Fri Dec 15 15:56:22 UTC 2023
PRIMARY
NCI_THESAURUS
C71355
Created by admin on Fri Dec 15 15:56:22 UTC 2023 , Edited by admin on Fri Dec 15 15:56:22 UTC 2023
PRIMARY
FDA UNII
406FL5G00V
Created by admin on Fri Dec 15 15:56:22 UTC 2023 , Edited by admin on Fri Dec 15 15:56:22 UTC 2023
PRIMARY
CHEBI
145421
Created by admin on Fri Dec 15 15:56:22 UTC 2023 , Edited by admin on Fri Dec 15 15:56:22 UTC 2023
PRIMARY
SMS_ID
100000145002
Created by admin on Fri Dec 15 15:56:22 UTC 2023 , Edited by admin on Fri Dec 15 15:56:22 UTC 2023
PRIMARY
EVMPD
SUB122629
Created by admin on Fri Dec 15 15:56:22 UTC 2023 , Edited by admin on Fri Dec 15 15:56:22 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY