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Details

Stereochemistry ACHIRAL
Molecular Formula C18H21ClN2.C4H4O4
Molecular Weight 416.898
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of NELEZAPRINE MALEATE

SMILES

OC(=O)\C=C/C(O)=O.CN(C)CC\C=C1\C2=CC=CN2CCC3=CC=C(Cl)C=C13

InChI

InChIKey=VYRCMVSAQWJLPL-CXKXOZANSA-N
InChI=1S/C18H21ClN2.C4H4O4/c1-20(2)10-3-5-16-17-13-15(19)8-7-14(17)9-12-21-11-4-6-18(16)21;5-3(6)1-2-4(7)8/h4-8,11,13H,3,9-10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b16-5+;2-1-

HIDE SMILES / InChI

Molecular Formula C18H21ClN2
Molecular Weight 300.826
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Description

Nelezaprine is a skeletal muscle relaxant.

Originator

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 05:47:01 UTC 2019
Edited
by admin
on Tue Oct 22 05:47:01 UTC 2019
Record UNII
3Q9L107XJB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NELEZAPRINE MALEATE
USAN  
USAN  
Official Name English
1-PROPANAMINE, 3-(9-CHLORO-5,6-DIHYDRO-11H-PYRROLO(2,1-B)(3)BENZAZEPIN-11-YLIDENE)-N,N-DIMETHYL-, (E)-, (Z)-2-BUTENEDIOATE (1:1)
Systematic Name English
NELEZAPRINE MALEATE [USAN]
Common Name English
(E)-9-CHLORO-11-(3-(DIMETHYLAMINO)PROPYLIDENE)-6,11-DIHYDRO-5H-PYRROLO(2,1-B)(3)BENZAZEPINE MALEATE (1:1)
Systematic Name English
L-637,510
Code English
L-637510
Code English
Classification Tree Code System Code
NCI_THESAURUS C29696
Created by admin on Tue Oct 22 05:47:01 UTC 2019 , Edited by admin on Tue Oct 22 05:47:01 UTC 2019
Code System Code Type Description
PUBCHEM
6436129
Created by admin on Tue Oct 22 05:47:01 UTC 2019 , Edited by admin on Tue Oct 22 05:47:01 UTC 2019
PRIMARY
CAS
107407-62-5
Created by admin on Tue Oct 22 05:47:01 UTC 2019 , Edited by admin on Tue Oct 22 05:47:01 UTC 2019
PRIMARY
NCI_THESAURUS
C80980
Created by admin on Tue Oct 22 05:47:01 UTC 2019 , Edited by admin on Tue Oct 22 05:47:01 UTC 2019
PRIMARY
ChEMBL
CHEMBL2110942
Created by admin on Tue Oct 22 05:47:01 UTC 2019 , Edited by admin on Tue Oct 22 05:47:01 UTC 2019
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY