U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C15H18N6O2.C6H5NO2
Molecular Weight 437.4518
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PIMEPHYLLINE NICOTINATE

SMILES

OC(=O)C1=CC=CN=C1.CN2C3=C(N(CCNCC4=CC=CN=C4)C=N3)C(=O)N(C)C2=O

InChI

InChIKey=DOWFKBHYDXGGML-UHFFFAOYSA-N
InChI=1S/C15H18N6O2.C6H5NO2/c1-19-13-12(14(22)20(2)15(19)23)21(10-18-13)7-6-17-9-11-4-3-5-16-8-11;8-6(9)5-2-1-3-7-4-5/h3-5,8,10,17H,6-7,9H2,1-2H3;1-4H,(H,8,9)

HIDE SMILES / InChI
Molecular Formula C15H18N6O2
Molecular Weight 314.3424
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C6H5NO2
Molecular Weight 123.1094
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

There are a few information in the literature about pimephylline nicotinate. The metabolites of this compound were determined in the rats.

Approval Year

Unknown
139594
PubMed

PubMed

TitleDatePubMed
Substance Class Chemical
Created
by admin
on Sat Dec 16 06:43:26 UTC 2023
Edited
by admin
on Sat Dec 16 06:43:26 UTC 2023
Record UNII
8Y694512DA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PIMEPHYLLINE NICOTINATE
Common Name English
THEOPHYLLINE, 7-(2-((3-PYRIDYLMETHYL)AMINO)ETHYL)-, NICOTINATE
Systematic Name English
PIMEFYLLINE NICOTINATE
MI  
Common Name English
NICOTINIC ACID, COMPD. WITH 7-(2-((3-PYRIDYLMETHYL)AMINO)ETHYL)THEOPHYLLINE
Common Name English
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3-DIMETHYL-7-(2-((3-PYRIDINYLMETHYL)AMINO)ETHYL)-, MONO-3-PYRIDINECARBOXYLATE
Systematic Name English
3-PYRIDINECARBOXYLIC ACID, COMPD. WITH 3,7-DIHYDRO-1,3-DIMETHYL-7-(2-((3-PYRIDINYLMETHYL)AMINO)ETHYL)-1H-PURINE-2,6-DIONE (1:1)
Common Name English
NICOTINIC ACID, COMPD. WITH 7-(2-((3-PYRIDYLMETHYL)AMINO)ETHYL)THEOPHYLLINE (1:1)
Common Name English
Theophylline nicotinate [WHO-DD]
Common Name English
TEONICON
Brand Name English
PIMEFYLLINE NICOTINATE [MI]
Common Name English
ES-902
Code English
7-(.BETA.-PICOLYLAMINOETHYL)THEOPHYLLINE NICOTINATE
Systematic Name English
Code System Code Type Description
FDA UNII
8Y694512DA
Created by admin on Sat Dec 16 06:43:26 UTC 2023 , Edited by admin on Sat Dec 16 06:43:26 UTC 2023
PRIMARY
PUBCHEM
197889
Created by admin on Sat Dec 16 06:43:26 UTC 2023 , Edited by admin on Sat Dec 16 06:43:26 UTC 2023
PRIMARY
EPA CompTox
DTXSID90143399
Created by admin on Sat Dec 16 06:43:26 UTC 2023 , Edited by admin on Sat Dec 16 06:43:26 UTC 2023
PRIMARY
ECHA (EC/EINECS)
233-185-3
Created by admin on Sat Dec 16 06:43:26 UTC 2023 , Edited by admin on Sat Dec 16 06:43:26 UTC 2023
PRIMARY
CAS
10058-07-8
Created by admin on Sat Dec 16 06:43:26 UTC 2023 , Edited by admin on Sat Dec 16 06:43:26 UTC 2023
PRIMARY
MERCK INDEX
m8812
Created by admin on Sat Dec 16 06:43:26 UTC 2023 , Edited by admin on Sat Dec 16 06:43:26 UTC 2023
PRIMARY Merck Index
Related Record Type Details
Structure of NIACIN
PARENT -> SALT/SOLVATE
Structure of PIMEFYLLINE
PARENT -> SALT/SOLVATE
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966