U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula 2C19H29N5O2.C4H6O4
Molecular Weight 837.0198
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LAVOLTIDINE SUCCINATE

SMILES

OC(=O)CCC(O)=O.CN1N=C(CO)N=C1NCCCOC2=CC(CN3CCCCC3)=CC=C2.CN4N=C(CO)N=C4NCCCOC5=CC(CN6CCCCC6)=CC=C5

InChI

InChIKey=IRLVOMNMSKSKMH-UHFFFAOYSA-N
InChI=1S/2C19H29N5O2.C4H6O4/c2*1-23-19(21-18(15-25)22-23)20-9-6-12-26-17-8-5-7-16(13-17)14-24-10-3-2-4-11-24;5-3(6)1-2-4(7)8/h2*5,7-8,13,25H,2-4,6,9-12,14-15H2,1H3,(H,20,21,22);1-2H2,(H,5,6)(H,7,8)

HIDE SMILES / InChI

Molecular Formula C4H6O4
Molecular Weight 118.088
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 C19H29N5O2
Molecular Weight 359.4659
Charge 0
Count
MOL RATIO 2 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

LAVOLTIDINE, also known as loxtidine, is a highly potent and selective histamine H2-receptor antagonist. It is a member of triazoles. It produces gastric carcinoid tumors in rodents that is why its clinical development was discontinued.

Originator

Approval Year

PubMed

Substance Class Chemical
Record UNII
YSJ55YKG2J
Record Status Validated (UNII)
Record Version