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Details

Stereochemistry ACHIRAL
Molecular Formula C19H22N6O3S
Molecular Weight 414.4832
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-DESISOPROPYL DELAVIRDINE

SMILES

CS(=O)(=O)Nc1ccc2c(c1)cc(C(=O)N3CCN(CC3)c4c(cccn4)N)[nH]2

InChI

InChIKey=MTEFFPTUUPAKOV-UHFFFAOYSA-N
InChI=1S/C19H22N6O3S/c1-29(27,28)23-14-4-5-16-13(11-14)12-17(22-16)19(26)25-9-7-24(8-10-25)18-15(20)3-2-6-21-18/h2-6,11-12,22-23H,7-10,20H2,1H3

HIDE SMILES / InChI

Molecular Formula C19H22N6O3S
Molecular Weight 414.4832
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Synthesis and bioactivity of novel bis(heteroaryl)piperazine (BHAP) reverse transcriptase inhibitors: structure-activity relationships and increased metabolic stability of novel substituted pyridine analogs.
1996 Dec 20
Substance Class Chemical
Created
by admin
on Sat Jun 26 07:53:15 UTC 2021
Edited
by admin
on Sat Jun 26 07:53:15 UTC 2021
Record UNII
TV9X4GSK6W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-DESISOPROPYL DELAVIRDINE
Common Name English
U-96183
Code English
METHANESULFONAMIDE, N-(2-((4-(3-AMINO-2-PYRIDINYL)-1-PIPERAZINYL)CARBONYL)-1H-INDOL-5-YL)-
Systematic Name English
N-DESISOPROPYLDELAVIRDINE
Common Name English
Code System Code Type Description
PUBCHEM
468304
Created by admin on Sat Jun 26 07:53:15 UTC 2021 , Edited by admin on Sat Jun 26 07:53:15 UTC 2021
PRIMARY
CAS
165133-86-8
Created by admin on Sat Jun 26 07:53:15 UTC 2021 , Edited by admin on Sat Jun 26 07:53:15 UTC 2021
PRIMARY
FDA UNII
TV9X4GSK6W
Created by admin on Sat Jun 26 07:53:15 UTC 2021 , Edited by admin on Sat Jun 26 07:53:15 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Delavirdine is primarily metabolized by cytochrome P450 3A (CYP3A), but in vitro data suggest that delavirdine may also be metabolized by CYP2D6
MAJOR