L-97-1

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H38N6O3
Molecular Weight	518.6504
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCN1C(=O)N(CCC2=CC=C(N)C=C2)C3=C(N(CCN(CC)CCO)C(CC4=CC=CC=C4)=N3)C1=O

InChI

InChIKey=QVEHDKFBFDUCEZ-UHFFFAOYSA-N

InChI=1S/C29H38N6O3/c1-3-15-35-28(37)26-27(34(29(35)38)16-14-22-10-12-24(30)13-11-22)31-25(21-23-8-6-5-7-9-23)33(26)18-17-32(4-2)19-20-36/h5-13,36H,3-4,14-21,30H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C29H38N6O3
Molecular Weight	518.6504
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
A novel A1 adenosine receptor antagonist, L-97-1 [3-[2-(4-aminophenyl)-ethyl]-8-benzyl-7-{2-ethyl-(2-hydroxy-ethyl)-amino]-ethyl}-1-propyl-3,7-dihydro-purine-2,6-dione], reduces allergic responses to house dust mite in an allergic rabbit model of asthma.	2005 Oct	16020631

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:22:06 GMT 2023` Edited by `admin` on `Sat Dec 16 08:22:06 GMT 2023`
Record UNII	31SPV65I6F
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

L-97-1

Common Name

English

1H-PURINE-2,6-DIONE, 3-(2-(4-AMINOPHENYL)ETHYL)-7-(2-(ETHYL(2-HYDROXYETHYL)AMINO)ETHYL)-3,7-DIHYDRO-8-(PHENYLMETHYL)-1-PROPYL-

Systematic Name

English

3-(2-(4-AMINOPHENYL)ETHYL)-8-BENZYL-7-(2-(ETHYL(2-HYDROXYETHYL)AMINO)ETHYL)-1-PROPYLXANTHINE

Systematic Name

English

Code System Code Type Description

CAS

634606-56-7

Created by admin on Sat Dec 16 08:22:06 GMT 2023 , Edited by admin on Sat Dec 16 08:22:06 GMT 2023

SUPERSEDED

FDA UNII

31SPV65I6F

Created by admin on Sat Dec 16 08:22:06 GMT 2023 , Edited by admin on Sat Dec 16 08:22:06 GMT 2023

PRIMARY

CAS

770703-20-3

Created by admin on Sat Dec 16 08:22:06 GMT 2023 , Edited by admin on Sat Dec 16 08:22:06 GMT 2023

PRIMARY

PUBCHEM

11627742

Created by admin on Sat Dec 16 08:22:06 GMT 2023 , Edited by admin on Sat Dec 16 08:22:06 GMT 2023

PRIMARY

Related Record Type Details


					31SPV65I6F

L-97-1

ACTIVE MOIETY