NESTIFYLLINE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H14N4O2S2
Molecular Weight	298.384
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1C2=C(N(CC3SCCS3)C=N2)C(=O)N(C)C1=O

InChI

InChIKey=HIQUBRAKVZRBRW-UHFFFAOYSA-N

InChI=1S/C11H14N4O2S2/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)5-7-18-3-4-19-7/h6-7H,3-5H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name

Type

Language

NESTIFYLLINE

Official Name

English

nestifylline [INN]

Common Name

English

7-(1,3-DITHIOLAN-2-YLMETHYL)THEOPHYLLINE

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C744

Created by admin on Fri Dec 15 16:24:56 UTC 2023 , Edited by admin on Fri Dec 15 16:24:56 UTC 2023

NCI_THESAURUS

C319

Created by admin on Fri Dec 15 16:24:56 UTC 2023 , Edited by admin on Fri Dec 15 16:24:56 UTC 2023

Code System Code Type Description

ChEMBL

CHEMBL2107133

Created by admin on Fri Dec 15 16:24:55 UTC 2023 , Edited by admin on Fri Dec 15 16:24:55 UTC 2023

PRIMARY

NCI_THESAURUS

C66234

Created by admin on Fri Dec 15 16:24:56 UTC 2023 , Edited by admin on Fri Dec 15 16:24:56 UTC 2023

PRIMARY

EPA CompTox

DTXSID40151505

Created by admin on Fri Dec 15 16:24:55 UTC 2023 , Edited by admin on Fri Dec 15 16:24:55 UTC 2023

PRIMARY

INN

6730

Created by admin on Fri Dec 15 16:24:55 UTC 2023 , Edited by admin on Fri Dec 15 16:24:55 UTC 2023

PRIMARY

EVMPD

SUB09209MIG

Created by admin on Fri Dec 15 16:24:55 UTC 2023 , Edited by admin on Fri Dec 15 16:24:55 UTC 2023

PRIMARY

PUBCHEM

65931

Created by admin on Fri Dec 15 16:24:56 UTC 2023 , Edited by admin on Fri Dec 15 16:24:56 UTC 2023

PRIMARY

SMS_ID

100000084179

Created by admin on Fri Dec 15 16:24:56 UTC 2023 , Edited by admin on Fri Dec 15 16:24:56 UTC 2023

PRIMARY

CAS

116763-36-1

Created by admin on Fri Dec 15 16:24:55 UTC 2023 , Edited by admin on Fri Dec 15 16:24:55 UTC 2023

PRIMARY

FDA UNII

52915ASM3D

Created by admin on Fri Dec 15 16:24:55 UTC 2023 , Edited by admin on Fri Dec 15 16:24:55 UTC 2023

PRIMARY

ACTIVE MOIETY


					52915ASM3D

NESTIFYLLINE