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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H31N3O3
Molecular Weight 481.5854
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DOFEQUIDAR, (S)-

SMILES

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

InChI

InChIKey=KLWUUPVJTLHYIM-VWLOTQADSA-N
InChI=1S/C30H31N3O3/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/h1-16,25,29,34H,17-22H2/t25-/m0/s1

HIDE SMILES / InChI

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 11:12:24 GMT 2023
Edited
by admin
on Sat Dec 16 11:12:24 GMT 2023
Record UNII
9XCO897C9F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DOFEQUIDAR, (S)-
Common Name English
1-PIPERAZINEETHANOL, 4-(DIPHENYLACETYL)-.ALPHA.-((5-QUINOLINYLOXY)METHYL)-, (S)-
Systematic Name English
CP-147674, (S)-
Code English
1-PIPERAZINEETHANOL, 4-(DIPHENYLACETYL)-.ALPHA.-((5-QUINOLINYLOXY)METHYL)-, (.ALPHA.S)-
Systematic Name English
Code System Code Type Description
FDA UNII
9XCO897C9F
Created by admin on Sat Dec 16 11:12:25 GMT 2023 , Edited by admin on Sat Dec 16 11:12:25 GMT 2023
PRIMARY
CAS
153653-31-7
Created by admin on Sat Dec 16 11:12:25 GMT 2023 , Edited by admin on Sat Dec 16 11:12:25 GMT 2023
PRIMARY
PUBCHEM
10480364
Created by admin on Sat Dec 16 11:12:25 GMT 2023 , Edited by admin on Sat Dec 16 11:12:25 GMT 2023
PRIMARY
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