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

Details

Stereochemistry ACHIRAL
Molecular Formula C21H25N5O2.CH4O3S
Molecular Weight 475.561
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ATEVIRDINE MESYLATE

SMILES

CS(O)(=O)=O.CCNC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(OC)=C4

InChI

InChIKey=HKPKBPALSLUFFM-UHFFFAOYSA-N
InChI=1S/C21H25N5O2.CH4O3S/c1-3-22-18-5-4-8-23-20(18)25-9-11-26(12-10-25)21(27)19-14-15-13-16(28-2)6-7-17(15)24-19;1-5(2,3)4/h4-8,13-14,22,24H,3,9-12H2,1-2H3;1H3,(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula CH4O3S
Molecular Weight 96.106
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C21H25N5O2
Molecular Weight 379.4555
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 Fri Dec 15 16:37:09 UTC 2023
Edited
by admin
on Fri Dec 15 16:37:09 UTC 2023
Record UNII
A948D8673W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ATEVIRDINE MESYLATE
USAN  
USAN  
Official Name English
ATEVIRDINE MESYLATE [USAN]
Common Name English
U-87201E
Code English
ATEVIRDINE MESILATE [MART.]
Common Name English
1-(3-(ETHYLAMINO)-2-PYRIDINYL)-4-((5-METHOXY-1H-INDOL-2-YL)CARBONYL)PIPERAZINE MESYLATE
Systematic Name English
Atevirdine mesylate [WHO-DD]
Common Name English
ATEVIRDINE METHANESULFONATE [MI]
Common Name English
ATEVIRDINE MESILATE
MART.  
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C97453
Created by admin on Fri Dec 15 16:37:09 UTC 2023 , Edited by admin on Fri Dec 15 16:37:09 UTC 2023
Code System Code Type Description
DRUG BANK
DBSALT002166
Created by admin on Fri Dec 15 16:37:09 UTC 2023 , Edited by admin on Fri Dec 15 16:37:09 UTC 2023
PRIMARY
MERCK INDEX
m573
Created by admin on Fri Dec 15 16:37:09 UTC 2023 , Edited by admin on Fri Dec 15 16:37:09 UTC 2023
PRIMARY Merck Index
FDA UNII
A948D8673W
Created by admin on Fri Dec 15 16:37:09 UTC 2023 , Edited by admin on Fri Dec 15 16:37:09 UTC 2023
PRIMARY
ChEMBL
CHEMBL280527
Created by admin on Fri Dec 15 16:37:09 UTC 2023 , Edited by admin on Fri Dec 15 16:37:09 UTC 2023
PRIMARY
USAN
EE-42
Created by admin on Fri Dec 15 16:37:09 UTC 2023 , Edited by admin on Fri Dec 15 16:37:09 UTC 2023
PRIMARY
EPA CompTox
DTXSID30930144
Created by admin on Fri Dec 15 16:37:09 UTC 2023 , Edited by admin on Fri Dec 15 16:37:09 UTC 2023
PRIMARY
PUBCHEM
60847
Created by admin on Fri Dec 15 16:37:09 UTC 2023 , Edited by admin on Fri Dec 15 16:37:09 UTC 2023
PRIMARY
NCI_THESAURUS
C73148
Created by admin on Fri Dec 15 16:37:09 UTC 2023 , Edited by admin on Fri Dec 15 16:37:09 UTC 2023
PRIMARY
CAS
138540-32-6
Created by admin on Fri Dec 15 16:37:09 UTC 2023 , Edited by admin on Fri Dec 15 16:37:09 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY