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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
MOL RATIO 1 MOL RATIO (average)
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
MOL RATIO 1 MOL RATIO (average)
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

PubMed

Substance Class Chemical
Record UNII
8Y694512DA
Record Status Validated (UNII)
Record Version