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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H31N3O3.C4H4O4
Molecular Weight 597.6576
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of DOFEQUIDAR FUMARATE, (R)-

SMILES

OC(=O)\C=C\C(O)=O.O[C@@H](COC1=C2C=CC=NC2=CC=C1)CN3CCN(CC3)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChIKey=QIAVTDQTRFYXSD-FMYYAHIMSA-N
InChI=1S/C30H31N3O3.C4H4O4/c34-25(22-36-28-15-7-14-27-26(28)13-8-16-31-27)21-32-17-19-33(20-18-32)30(35)29(23-9-3-1-4-10-23)24-11-5-2-6-12-24;5-3(6)1-2-4(7)8/h1-16,25,29,34H,17-22H2;1-2H,(H,5,6)(H,7,8)/b;2-1+/t25-;/m1./s1

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 C30H31N3O3
Molecular Weight 481.5854
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 02:51:59 GMT 2023
Edited
by admin
on Sat Dec 16 02:51:59 GMT 2023
Record UNII
5P06ZAB6YO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DOFEQUIDAR FUMARATE, (R)-
Common Name English
1-PIPERAZINEETHANOL, 4-(DIPHENYLACETYL)-.ALPHA.-((5-QUINOLINYLOXY)METHYL)-, (.ALPHA.R)-, (2E)-2-BUTENEDIOATE (1:1) (SALT)
Systematic Name English
Code System Code Type Description
PUBCHEM
22854653
Created by admin on Sat Dec 16 02:51:59 GMT 2023 , Edited by admin on Sat Dec 16 02:51:59 GMT 2023
PRIMARY
CAS
153653-34-0
Created by admin on Sat Dec 16 02:51:59 GMT 2023 , Edited by admin on Sat Dec 16 02:51:59 GMT 2023
PRIMARY
FDA UNII
5P06ZAB6YO
Created by admin on Sat Dec 16 02:51:59 GMT 2023 , Edited by admin on Sat Dec 16 02:51:59 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER