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

Details

Stereochemistry ACHIRAL
Molecular Formula C25H19NO2.C4H11NO2
Molecular Weight 470.5595
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PICOTRIN DIOLAMINE

SMILES

OCCNCCO.OC(=O)C1=NC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChIKey=ZDPNSWQCLRXJDV-UHFFFAOYSA-N
InChI=1S/C25H19NO2.C4H11NO2/c27-24(28)23-17-16-22(18-26-23)25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21;6-3-1-5-2-4-7/h1-18H,(H,27,28);5-7H,1-4H2

HIDE SMILES / InChI

Molecular Formula C4H11NO2
Molecular Weight 105.1356
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 C25H19NO2
Molecular Weight 365.4239
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

Picotrin is the keratolytic agent. It was used for the treatment of acne.

Approval Year

Substance Class Chemical
Record UNII
5507128V5S
Record Status Validated (UNII)
Record Version