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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

Approval Year

Name Type Language
LUPITIDINE HYDROCHLORIDE
USAN  
USAN  
Official Name English
2-[[2-[[5-[(Dimethylamino)methyl]furfuryl]thio]ethyl]amino]-5-[(6-methyl-3-pyridyl)methyl]-4-(1H)-pyrimidinone trihydrochloride
Systematic Name English
LUPITIDINE HYDROCHLORIDE [USAN]
Common Name English
SK&F-93479
Code English
4(1H)-PYRIMIDINONE, 2-((2-(((5-((DIMETHYLAMINO)METHYL)-2-FURANYL)METHYL)THIO)ETHYL)AMINO)-5-((6-METHYL-3-PYRIDINYL)METHYL)-, TRIHYDROCHLORIDE
Common Name English
SK&F 93479
Code English
Code System Code Type Description
ChEMBL
CHEMBL69178
Created by admin on Fri Dec 15 18:08:29 UTC 2023 , Edited by admin on Fri Dec 15 18:08:29 UTC 2023
PRIMARY
EPA CompTox
DTXSID5020786
Created by admin on Fri Dec 15 18:08:29 UTC 2023 , Edited by admin on Fri Dec 15 18:08:29 UTC 2023
PRIMARY
MESH
C033275
Created by admin on Fri Dec 15 18:08:29 UTC 2023 , Edited by admin on Fri Dec 15 18:08:29 UTC 2023
PRIMARY
USAN
S-103
Created by admin on Fri Dec 15 18:08:29 UTC 2023 , Edited by admin on Fri Dec 15 18:08:29 UTC 2023
PRIMARY
NCI_THESAURUS
C170143
Created by admin on Fri Dec 15 18:08:29 UTC 2023 , Edited by admin on Fri Dec 15 18:08:29 UTC 2023
PRIMARY
FDA UNII
XKU5YY749W
Created by admin on Fri Dec 15 18:08:29 UTC 2023 , Edited by admin on Fri Dec 15 18:08:29 UTC 2023
PRIMARY
PUBCHEM
6321389
Created by admin on Fri Dec 15 18:08:29 UTC 2023 , Edited by admin on Fri Dec 15 18:08:29 UTC 2023
PRIMARY
CAS
72716-75-7
Created by admin on Fri Dec 15 18:08:29 UTC 2023 , Edited by admin on Fri Dec 15 18:08:29 UTC 2023
PRIMARY