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Details

Stereochemistry ACHIRAL
Molecular Formula C21H27N5O2S.3ClH
Molecular Weight 522.919
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LUPITIDINE HYDROCHLORIDE

SMILES

Cl.Cl.Cl.CN(C)CC1=CC=C(CSCCNC2=NC=C(CC3=CN=C(C)C=C3)C(=O)N2)O1

InChI

InChIKey=YMVSCUJJVSENIP-UHFFFAOYSA-N
InChI=1S/C21H27N5O2S.3ClH/c1-15-4-5-16(11-23-15)10-17-12-24-21(25-20(17)27)22-8-9-29-14-19-7-6-18(28-19)13-26(2)3;;;/h4-7,11-12H,8-10,13-14H2,1-3H3,(H2,22,24,25,27);3*1H

HIDE SMILES / InChI

Molecular Formula C21H27N5O2S
Molecular Weight 413.536
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 ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 3 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Lupitidine (SKF 93479) is a histamine H2 receptor antagonist. Lupitidine is a potent inhibitor of gastric acid secretion with a long duration of action. It lacks an antiandrogenic effect. It enhances pituitary thyroid stimulating hormone drive by increasing thyroid hormone clearance. It exerts an antinociceptive effect in rodents.

Approval Year

PubMed

Substance Class Chemical
Record UNII
XKU5YY749W
Record Status Validated (UNII)
Record Version