TONAPOFYLLINE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H32N4O4
Molecular Weight	416.5139
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TONAPOFYLLINE

Structure Search

SMILES

CCCN1C2=C(NC(=N2)C34CCC(CCC(O)=O)(CC3)CC4)C(=O)N(CCC)C1=O

InChI

InChIKey=ZWTVVWUOTJRXKM-UHFFFAOYSA-N

InChI=1S/C22H32N4O4/c1-3-13-25-17-16(18(29)26(14-4-2)20(25)30)23-19(24-17)22-10-7-21(8-11-22,9-12-22)6-5-15(27)28/h3-14H2,1-2H3,(H,23,24)(H,27,28)

HIDE SMILES / InChI

Molecular Formula	C22H32N4O4
Molecular Weight	416.5139
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 `Sat Dec 16 15:51:17 UTC 2023` Edited by `admin` on `Sat Dec 16 15:51:17 UTC 2023`
Record UNII	83VNU4U44T
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

TONAPOFYLLINE

Official Name

English

tonapofylline [INN]

Common Name

English

3-(4-(2,6-DIOXO-1,3-DIPROPYL-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL)BICYCLO(2.2.2)OCT-1- YL)PROPANOIC ACID

Systematic Name

English

BG-9928

Code

English

TONAPOFYLLINE [USAN]

Common Name

English

BG9928

Code

English

BICYCLO(2.2.2)OCTANE-1-PROPANOIC ACID, 4-(2,3,6,7-TETRAHYDRO-2,6-DIOXO-1,3-DIPROPYL-1H- PURIN-8-YL)-

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C319

Created by admin on Sat Dec 16 15:51:17 UTC 2023 , Edited by admin on Sat Dec 16 15:51:17 UTC 2023

Code System Code Type Description

EPA CompTox

DTXSID30187611

Created by admin on Sat Dec 16 15:51:17 UTC 2023 , Edited by admin on Sat Dec 16 15:51:17 UTC 2023

PRIMARY

ChEMBL

CHEMBL414157

Created by admin on Sat Dec 16 15:51:17 UTC 2023 , Edited by admin on Sat Dec 16 15:51:17 UTC 2023

PRIMARY

INN

9152

Created by admin on Sat Dec 16 15:51:17 UTC 2023 , Edited by admin on Sat Dec 16 15:51:17 UTC 2023

PRIMARY

SMS_ID

100000154912

Created by admin on Sat Dec 16 15:51:17 UTC 2023 , Edited by admin on Sat Dec 16 15:51:17 UTC 2023

PRIMARY

PUBCHEM

216466

Created by admin on Sat Dec 16 15:51:17 UTC 2023 , Edited by admin on Sat Dec 16 15:51:17 UTC 2023

PRIMARY

EVMPD

SUB128679

Created by admin on Sat Dec 16 15:51:17 UTC 2023 , Edited by admin on Sat Dec 16 15:51:17 UTC 2023

PRIMARY

USAN

UU-148

Created by admin on Sat Dec 16 15:51:17 UTC 2023 , Edited by admin on Sat Dec 16 15:51:17 UTC 2023

PRIMARY

CAS

340021-17-2

Created by admin on Sat Dec 16 15:51:17 UTC 2023 , Edited by admin on Sat Dec 16 15:51:17 UTC 2023

PRIMARY

FDA UNII

83VNU4U44T

Created by admin on Sat Dec 16 15:51:17 UTC 2023 , Edited by admin on Sat Dec 16 15:51:17 UTC 2023

PRIMARY

DRUG BANK

DB12569

Created by admin on Sat Dec 16 15:51:17 UTC 2023 , Edited by admin on Sat Dec 16 15:51:17 UTC 2023

PRIMARY

NCI_THESAURUS

C96194

Created by admin on Sat Dec 16 15:51:17 UTC 2023 , Edited by admin on Sat Dec 16 15:51:17 UTC 2023

PRIMARY

Related Record Type Details


					9J6QGP7WEA

ADENOSINE RECEPTOR A1

TARGET -> INHIBITOR

Amount:

Related Record Type Details


					83VNU4U44T

ACTIVE MOIETY

Amount: