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Details

Stereochemistry ACHIRAL
Molecular Formula C26H26N3O5S.Na
Molecular Weight 515.557
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DASABUVIR SODIUM ANHYDROUS

SMILES

[Na+].COC1=C(C=C(C=C1C2=CC3=CC=C(NS(C)(=O)=O)C=C3C=C2)N4C=CC(=O)[N-]C4=O)C(C)(C)C

InChI

InChIKey=XHGMJAKIIJSQMF-UHFFFAOYSA-M
InChI=1S/C26H27N3O5S.Na/c1-26(2,3)22-15-20(29-11-10-23(30)27-25(29)31)14-21(24(22)34-4)18-7-6-17-13-19(28-35(5,32)33)9-8-16(17)12-18;/h6-15,28H,1-5H3,(H,27,30,31);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C26H27N3O5S
Molecular Weight 493.575
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
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 Sat Dec 16 08:38:59 UTC 2023
Edited
by admin
on Sat Dec 16 08:38:59 UTC 2023
Record UNII
R2M8F5TK9T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DASABUVIR SODIUM ANHYDROUS
Common Name English
DASABUVIR SODIUM
Common Name English
METHANESULFONAMIDE, N-(6-(5-(3,4-DIHYDRO-2,4-DIOXO-1(2H)-PYRIMIDINYL)-3-(1,1-DIMETHYLETHYL)-2-METHOXYPHENYL)-2-NAPHTHALENYL)-, SODIUM SALT (1:1)
Common Name English
Dasabuvir sodium [WHO-DD]
Common Name English
ABT-333 SODIUM
Code English
DASABUVIR SODIUM [ORANGE BOOK]
Common Name English
Code System Code Type Description
CHEBI
85179
Created by admin on Sat Dec 16 08:39:00 UTC 2023 , Edited by admin on Sat Dec 16 08:39:00 UTC 2023
PRIMARY
EPA CompTox
DTXSID001027736
Created by admin on Sat Dec 16 08:39:00 UTC 2023 , Edited by admin on Sat Dec 16 08:39:00 UTC 2023
PRIMARY
SMS_ID
100000156932
Created by admin on Sat Dec 16 08:39:00 UTC 2023 , Edited by admin on Sat Dec 16 08:39:00 UTC 2023
PRIMARY
ChEMBL
CHEMBL3137312
Created by admin on Sat Dec 16 08:39:00 UTC 2023 , Edited by admin on Sat Dec 16 08:39:00 UTC 2023
PRIMARY
DRUG BANK
DBSALT001487
Created by admin on Sat Dec 16 08:39:00 UTC 2023 , Edited by admin on Sat Dec 16 08:39:00 UTC 2023
PRIMARY
PUBCHEM
56640145
Created by admin on Sat Dec 16 08:39:00 UTC 2023 , Edited by admin on Sat Dec 16 08:39:00 UTC 2023
PRIMARY
EVMPD
SUB131060
Created by admin on Sat Dec 16 08:39:00 UTC 2023 , Edited by admin on Sat Dec 16 08:39:00 UTC 2023
PRIMARY
FDA UNII
R2M8F5TK9T
Created by admin on Sat Dec 16 08:39:00 UTC 2023 , Edited by admin on Sat Dec 16 08:39:00 UTC 2023
PRIMARY
CAS
1132940-11-4
Created by admin on Sat Dec 16 08:39:00 UTC 2023 , Edited by admin on Sat Dec 16 08:39:00 UTC 2023
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY