N-DESISOPROPYL DELAVIRDINE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C19H22N6O3S
Molecular Weight	414.481
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(=O)(=O)NC1=CC2=C(NC(=C2)C(=O)N3CCN(CC3)C4=C(N)C=CC=N4)C=C1

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	414.481
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
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	8978855

Substance Class	Chemical Created by `admin` on `Sun Dec 18 00:20:01 UTC 2022` Edited by `admin` on `Sun Dec 18 00:20:01 UTC 2022`
Record UNII	TV9X4GSK6W
Record Status	`Validated (UNII)`
Record Version

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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 Sun Dec 18 00:20:01 UTC 2022 , Edited by admin on Sun Dec 18 00:20:01 UTC 2022

PRIMARY

CAS

165133-86-8

Created by admin on Sun Dec 18 00:20:01 UTC 2022 , Edited by admin on Sun Dec 18 00:20:01 UTC 2022

PRIMARY

FDA UNII

TV9X4GSK6W

Created by admin on Sun Dec 18 00:20:01 UTC 2022 , Edited by admin on Sun Dec 18 00:20:01 UTC 2022

PRIMARY

Related Record Type Details


					DOL5F9JD3E

DELAVIRDINE

PARENT -> METABOLITE

Comments:

Delavirdine is primarily metabolized by cytochrome P450 3A (CYP3A), but in vitro data suggest that delavirdine may also be metabolized by CYP2D6

Interaction Type:

MAJOR

Amount: