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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H27N.C4H4O4
Molecular Weight 445.55
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CI-1007 MALEATE

SMILES

OC(=O)\C=C/C(O)=O.C([C@@H]1CCC=C(C1)C2=CC=CC=C2)N3CCC(=CC3)C4=CC=CC=C4

InChI

InChIKey=UGSOIMHAQBCDQP-OMADMNBESA-N
InChI=1S/C24H27N.C4H4O4/c1-3-9-21(10-4-1)23-14-16-25(17-15-23)19-20-8-7-13-24(18-20)22-11-5-2-6-12-22;5-3(6)1-2-4(7)8/h1-6,9-14,20H,7-8,15-19H2;1-2H,(H,5,6)(H,7,8)/b;2-1-/t20-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C24H27N
Molecular Weight 329.4779
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

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

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Tue Oct 22 07:57:48 UTC 2019
Edited
by admin
on Tue Oct 22 07:57:48 UTC 2019
Record UNII
B8SI40Y3SQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CI-1007 MALEATE
Code English
PD-143188 MALEATE
Code English
1,2,3,6-TETRAHYDRO-4-PHENYL-1-((3-PHENYL-3-CYCLOHEXEN-1-YL)METHYL)PYRIDINE MALEATE, R-
Common Name English
PYRIDINE, 1,2,3,6-TETRAHYDRO-4-PHENYL-1-((3-PHENYL-3-CYCLOHEXEN-1-YL)METHYL)-, (R)-, (Z)-2-BUTENEDIOATE (1:1)
Common Name English
Code System Code Type Description
PUBCHEM
10456184
Created by admin on Tue Oct 22 07:57:48 UTC 2019 , Edited by admin on Tue Oct 22 07:57:48 UTC 2019
PRIMARY
CAS
178555-05-0
Created by admin on Tue Oct 22 07:57:48 UTC 2019 , Edited by admin on Tue Oct 22 07:57:48 UTC 2019
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE