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Details

Stereochemistry UNKNOWN
Molecular Formula C19H35N.C4H4O4
Molecular Weight 393.5601
Optical Activity ( + )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PERHEXILINE MALEATE, (+)-

SMILES

OC(=O)\C=C/C(O)=O.C(C(C1CCCCC1)C2CCCCC2)C3CCCCN3

InChI

InChIKey=JDZOTSLZMQDFLG-BTJKTKAUSA-N
InChI=1S/C19H35N.C4H4O4/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18;5-3(6)1-2-4(7)8/h16-20H,1-15H2;1-2H,(H,5,6)(H,7,8)/b;2-1-

HIDE SMILES / InChI

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula C19H35N
Molecular Weight 277.4879
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:32:49 UTC 2023
Edited
by admin
on Sat Dec 16 10:32:49 UTC 2023
Record UNII
84LEC42PQ8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PERHEXILINE MALEATE, (+)-
Common Name English
PIPERIDINE, 2-(2,2-DICYCLOHEXYLETHYL)-, (+)-, (2Z)-2-BUTENEDIOATE (1:1)
Systematic Name English
PIPERIDINE, 2-(2,2-DICYCLOHEXYLETHYL)-, (+)-, (Z)-2-BUTENEDIOATE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
5284439
Created by admin on Sat Dec 16 10:32:50 UTC 2023 , Edited by admin on Sat Dec 16 10:32:50 UTC 2023
PRIMARY
CAS
103516-75-2
Created by admin on Sat Dec 16 10:32:50 UTC 2023 , Edited by admin on Sat Dec 16 10:32:50 UTC 2023
PRIMARY
FDA UNII
84LEC42PQ8
Created by admin on Sat Dec 16 10:32:50 UTC 2023 , Edited by admin on Sat Dec 16 10:32:50 UTC 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER
ENANTIOMER -> ENANTIOMER