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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H28N6O3S.CH4O3S
Molecular Weight 552.667
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DELAVIRDINE MESYLATE

SMILES

CS(O)(=O)=O.CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(NS(C)(=O)=O)=C4

InChI

InChIKey=MEPNHSOMXMALDZ-UHFFFAOYSA-N
InChI=1S/C22H28N6O3S.CH4O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20;1-5(2,3)4/h4-8,13-15,24-26H,9-12H2,1-3H3;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 C22H28N6O3S
Molecular Weight 456.561
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 15:31:25 UTC 2023
Edited
by admin
on Fri Dec 15 15:31:25 UTC 2023
Record UNII
421105KRQE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DELAVIRDINE MESYLATE
HSDB   ORANGE BOOK   USAN   VANDF   WHO-DD  
USAN  
Official Name English
DELAVIRDINE MESILATE [JAN]
Common Name English
DELAVIRDINE METHANESULFONATE [MI]
Common Name English
DELAVIRDINE MESILATE
JAN   MART.  
Common Name English
DELAVIRDINE MESYLATE [ORANGE BOOK]
Common Name English
DELAVIRDINE METHANESULFONATE
MI  
Common Name English
U-90152S
Code English
DELAVIRDINE MESYLATE [VANDF]
Common Name English
RESCRIPTOR
Brand Name English
Delavirdine mesylate [WHO-DD]
Common Name English
PIPERAZINE, 1-(3-((1-METHYLETHYL)AMINO)-2-PYRIDINYL)-4-((5-((METHYLSULPHONYL)AMINO)-1H-INDOL-2-YL)CARBONYL)-, MONOMETHANESULPHONATE
Systematic Name English
DELAVIRDINE MESYLATE [USAN]
Common Name English
PIPERAZINE, 1-(3-((1-METHYLETHYL)AMINO)-2-PYRIDINYL)-4-((5-((METHYLSULFONYL)AMINO)-1H-INDOL-2-YL)CARBONYL)-, MONOMETHANESULFONATE
Systematic Name English
DELAVIRDINE MESYLATE [HSDB]
Common Name English
DELAVIRDINE MESILATE [MART.]
Common Name English
1-(3-(ISOPROPYLAMINO)-2-PYRIDYL)-4-((5-METHANESULPHONAMIDOINDOL-2-YL)CARBONYL)PIPERAZINE MONOMETHANESULPHONATE
Systematic Name English
1-[3-(Isopropylamino)-2-pyridyl]-4-[(5-methanesulfonamidoindol-2-yl)carbonyl]piperazine monomethanesulfonate
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C97453
Created by admin on Fri Dec 15 15:31:25 UTC 2023 , Edited by admin on Fri Dec 15 15:31:25 UTC 2023
Code System Code Type Description
SMS_ID
100000088391
Created by admin on Fri Dec 15 15:31:25 UTC 2023 , Edited by admin on Fri Dec 15 15:31:25 UTC 2023
PRIMARY
HSDB
7162
Created by admin on Fri Dec 15 15:31:25 UTC 2023 , Edited by admin on Fri Dec 15 15:31:25 UTC 2023
PRIMARY
CHEBI
4379
Created by admin on Fri Dec 15 15:31:25 UTC 2023 , Edited by admin on Fri Dec 15 15:31:25 UTC 2023
PRIMARY
EVMPD
SUB01575MIG
Created by admin on Fri Dec 15 15:31:25 UTC 2023 , Edited by admin on Fri Dec 15 15:31:25 UTC 2023
PRIMARY
PUBCHEM
441386
Created by admin on Fri Dec 15 15:31:25 UTC 2023 , Edited by admin on Fri Dec 15 15:31:25 UTC 2023
PRIMARY
DRUG BANK
DBSALT000038
Created by admin on Fri Dec 15 15:31:25 UTC 2023 , Edited by admin on Fri Dec 15 15:31:25 UTC 2023
PRIMARY
FDA UNII
421105KRQE
Created by admin on Fri Dec 15 15:31:25 UTC 2023 , Edited by admin on Fri Dec 15 15:31:25 UTC 2023
PRIMARY
CAS
147221-93-0
Created by admin on Fri Dec 15 15:31:25 UTC 2023 , Edited by admin on Fri Dec 15 15:31:25 UTC 2023
PRIMARY
EPA CompTox
DTXSID701017136
Created by admin on Fri Dec 15 15:31:25 UTC 2023 , Edited by admin on Fri Dec 15 15:31:25 UTC 2023
PRIMARY
MERCK INDEX
m4152
Created by admin on Fri Dec 15 15:31:25 UTC 2023 , Edited by admin on Fri Dec 15 15:31:25 UTC 2023
PRIMARY Merck Index
NCI_THESAURUS
C28974
Created by admin on Fri Dec 15 15:31:25 UTC 2023 , Edited by admin on Fri Dec 15 15:31:25 UTC 2023
PRIMARY
RXCUI
142152
Created by admin on Fri Dec 15 15:31:25 UTC 2023 , Edited by admin on Fri Dec 15 15:31:25 UTC 2023
PRIMARY RxNorm
ChEMBL
CHEMBL593
Created by admin on Fri Dec 15 15:31:25 UTC 2023 , Edited by admin on Fri Dec 15 15:31:25 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY