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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H27ClN2.C4H6O4
Molecular Weight 473.004
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ZICRONAPINE SUCCINATE

SMILES

OC(=O)CCC(O)=O.CN1CCN(CC1(C)C)[C@@H]2C[C@H](C3=CC=C(Cl)C=C23)C4=CC=CC=C4

InChI

InChIKey=MMYNXKNHLGJGFF-LZAGWAHOSA-N
InChI=1S/C22H27ClN2.C4H6O4/c1-22(2)15-25(12-11-24(22)3)21-14-19(16-7-5-4-6-8-16)18-10-9-17(23)13-20(18)21;5-3(6)1-2-4(7)8/h4-10,13,19,21H,11-12,14-15H2,1-3H3;1-2H2,(H,5,6)(H,7,8)/t19-,21+;/m0./s1

HIDE SMILES / InChI

Molecular Formula C4H6O4
Molecular Weight 118.088
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C22H27ClN2
Molecular Weight 354.916
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 01:42:54 UTC 2019
Edited
by admin
on Tue Oct 22 01:42:54 UTC 2019
Record UNII
Q7H2LD73H5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ZICRONAPINE SUCCINATE
USAN   WHO-DD  
USAN  
Official Name English
LU 31-130 (SUCCINATE)
Code English
PIPERAZINE, 4-((1R,3S)-6-CHLORO-2,3-DIHYDRO-3-PHENYL-1H-INDEN-1-YL)-1,2,2-TRIMETHYL-, BUTANEDIOATE (1:1)
Systematic Name English
ZICRONAPINE SUCCINATE [USAN]
Common Name English
ZICRONAPINE SUCCINATE [WHO-DD]
Common Name English
LU-31130 SUCCINATE
Code English
Classification Tree Code System Code
NCI_THESAURUS C29710
Created by admin on Tue Oct 22 01:42:54 UTC 2019 , Edited by admin on Tue Oct 22 01:42:54 UTC 2019
Code System Code Type Description
NCI_THESAURUS
C152951
Created by admin on Tue Oct 22 01:42:54 UTC 2019 , Edited by admin on Tue Oct 22 01:42:54 UTC 2019
PRIMARY
PUBCHEM
11465617
Created by admin on Tue Oct 22 01:42:54 UTC 2019 , Edited by admin on Tue Oct 22 01:42:54 UTC 2019
PRIMARY
EPA CompTox
846061-36-7
Created by admin on Tue Oct 22 01:42:54 UTC 2019 , Edited by admin on Tue Oct 22 01:42:54 UTC 2019
PRIMARY
CAS
846061-36-7
Created by admin on Tue Oct 22 01:42:54 UTC 2019 , Edited by admin on Tue Oct 22 01:42:54 UTC 2019
PRIMARY
ChEMBL
CHEMBL3039528
Created by admin on Tue Oct 22 01:42:54 UTC 2019 , Edited by admin on Tue Oct 22 01:42:54 UTC 2019
PRIMARY
Related Record Type Details
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PARENT -> SALT/SOLVATE